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types.cc
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3 //
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6 // (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
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9 
10 /// @file core/scoring/hbonds/types.cc
11 /// @brief Functions for manipulating hydrogen bond types
12 /// @author Matthew O'Meara
13 
14 #include <core/chemical/types.hh>
15 #include <core/scoring/hbonds/types.hh>
16 #include <ObjexxFCL/FArray3D.hh>
17 #include <utility/exit.hh>
18 
19 namespace core {
20 namespace scoring {
21 namespace hbonds {
22 
23 
24 Size
25 hb_eval_type(
26  HBDonChemType don_chem_type,
27  HBAccChemType acc_chem_type,
28  HBSeqSep seq_sep_type){
29 
30  return
31  (don_chem_type-1)*(hbacc_MAX-2)*(seq_sep_MAX-2) +
32  (acc_chem_type-1)*(seq_sep_MAX-2) +
33  (seq_sep_type-1) + 1;
34 }
35 
36 
37 void
38 HBEval_lookup_initializer( ObjexxFCL::FArray3D<HBEvalType> & hbe )
39 {
40  hbe(hbdon_NONE, hbacc_NONE, seq_sep_other) = hbe_NONE;
41  hbe(hbdon_PBA, hbacc_NONE, seq_sep_other) = hbe_NONE;
42  hbe(hbdon_CXA, hbacc_NONE, seq_sep_other) = hbe_NONE;
43  hbe(hbdon_IMD, hbacc_NONE, seq_sep_other) = hbe_NONE;
44  hbe(hbdon_IME, hbacc_NONE, seq_sep_other) = hbe_NONE;
45  hbe(hbdon_IND, hbacc_NONE, seq_sep_other) = hbe_NONE;
46  hbe(hbdon_AMO, hbacc_NONE, seq_sep_other) = hbe_NONE;
47  hbe(hbdon_GDE, hbacc_NONE, seq_sep_other) = hbe_NONE;
48  hbe(hbdon_GDH, hbacc_NONE, seq_sep_other) = hbe_NONE;
49  hbe(hbdon_AHX, hbacc_NONE, seq_sep_other) = hbe_NONE;
50  hbe(hbdon_HXL, hbacc_NONE, seq_sep_other) = hbe_NONE;
51  hbe(hbdon_H2O, hbacc_NONE, seq_sep_other) = hbe_NONE;
52  hbe(hbdon_GENERIC_BB, hbacc_NONE, seq_sep_other) = hbe_NONE;
53  hbe(hbdon_GENERIC_SC, hbacc_NONE, seq_sep_other) = hbe_NONE;
54  hbe(hbdon_NONE, hbacc_PBA, seq_sep_other) = hbe_NONE;
55  hbe(hbdon_NONE, hbacc_CXA, seq_sep_other) = hbe_NONE;
56  hbe(hbdon_NONE, hbacc_CXL, seq_sep_other) = hbe_NONE;
57  hbe(hbdon_NONE, hbacc_IMD, seq_sep_other) = hbe_NONE;
58  hbe(hbdon_NONE, hbacc_IME, seq_sep_other) = hbe_NONE;
59  hbe(hbdon_NONE, hbacc_AHX, seq_sep_other) = hbe_NONE;
60  hbe(hbdon_NONE, hbacc_HXL, seq_sep_other) = hbe_NONE;
61  hbe(hbdon_NONE, hbacc_PCA_DNA, seq_sep_other) = hbe_NONE;
62  hbe(hbdon_NONE, hbacc_PES_DNA, seq_sep_other) = hbe_NONE;
63  hbe(hbdon_NONE, hbacc_RRI_DNA, seq_sep_other) = hbe_NONE;
64  hbe(hbdon_NONE, hbacc_PCA_RNA, seq_sep_other) = hbe_NONE;
65  hbe(hbdon_NONE, hbacc_PES_RNA, seq_sep_other) = hbe_NONE;
66  hbe(hbdon_NONE, hbacc_RRI_RNA, seq_sep_other) = hbe_NONE;
67  hbe(hbdon_NONE, hbacc_H2O, seq_sep_other) = hbe_NONE;
68  hbe(hbdon_NONE, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_NONE;
69  hbe(hbdon_NONE, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_NONE;
70  hbe(hbdon_NONE, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_NONE;
71  hbe(hbdon_NONE, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_NONE;
72  hbe(hbdon_NONE, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_NONE;
73  hbe(hbdon_NONE, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_NONE;
74  hbe(hbdon_PBA, hbacc_PBA, seq_sep_M4) = hbe_dPBAaPBAsepM4helix;
75  hbe(hbdon_PBA, hbacc_PBA, seq_sep_M3) = hbe_dPBAaPBAsepM3turn;
76  hbe(hbdon_PBA, hbacc_PBA, seq_sep_M2) = hbe_dPBAaPBAsepM2turn;
77  hbe(hbdon_PBA, hbacc_PBA, seq_sep_PM1) = hbe_dPBAaPBAsepPM1;
78  hbe(hbdon_PBA, hbacc_PBA, seq_sep_P2) = hbe_dPBAaPBAsepP2turn;
79  hbe(hbdon_PBA, hbacc_PBA, seq_sep_P3) = hbe_dPBAaPBAsepP3turn;
80  hbe(hbdon_PBA, hbacc_PBA, seq_sep_P4) = hbe_dPBAaPBAsepP4helix;
81  hbe(hbdon_PBA, hbacc_PBA, seq_sep_other) = hbe_dPBAaPBAsepother;
82  hbe(hbdon_CXA, hbacc_PBA, seq_sep_PM1) = hbe_dCXAaPBAsepPM1;
83  hbe(hbdon_IMD, hbacc_PBA, seq_sep_PM1) = hbe_dIMDaPBAsepPM1;
84  hbe(hbdon_IME, hbacc_PBA, seq_sep_PM1) = hbe_dIMEaPBAsepPM1;
85  hbe(hbdon_IND, hbacc_PBA, seq_sep_PM1) = hbe_dINDaPBAsepPM1;
86  hbe(hbdon_AMO, hbacc_PBA, seq_sep_PM1) = hbe_dAMOaPBAsepPM1;
87  hbe(hbdon_GDE, hbacc_PBA, seq_sep_PM1) = hbe_dGDEaPBAsepPM1;
88  hbe(hbdon_GDH, hbacc_PBA, seq_sep_PM1) = hbe_dGDHaPBAsepPM1;
89  hbe(hbdon_AHX, hbacc_PBA, seq_sep_PM1) = hbe_dAHXaPBAsepPM1;
90  hbe(hbdon_HXL, hbacc_PBA, seq_sep_PM1) = hbe_dHXLaPBAsepPM1;
91  hbe(hbdon_CXA, hbacc_PBA, seq_sep_other) = hbe_dCXAaPBAsepother;
92  hbe(hbdon_IMD, hbacc_PBA, seq_sep_other) = hbe_dIMDaPBAsepother;
93  hbe(hbdon_IME, hbacc_PBA, seq_sep_other) = hbe_dIMEaPBAsepother;
94  hbe(hbdon_IND, hbacc_PBA, seq_sep_other) = hbe_dINDaPBAsepother;
95  hbe(hbdon_AMO, hbacc_PBA, seq_sep_other) = hbe_dAMOaPBAsepother;
96  hbe(hbdon_GDE, hbacc_PBA, seq_sep_other) = hbe_dGDEaPBAsepother;
97  hbe(hbdon_GDH, hbacc_PBA, seq_sep_other) = hbe_dGDHaPBAsepother;
98  hbe(hbdon_AHX, hbacc_PBA, seq_sep_other) = hbe_dAHXaPBAsepother;
99  hbe(hbdon_HXL, hbacc_PBA, seq_sep_other) = hbe_dHXLaPBAsepother;
100  hbe(hbdon_H2O, hbacc_PBA, seq_sep_other) = hbe_dH2OaPBA;
101  hbe(hbdon_PBA, hbacc_CXA, seq_sep_PM1) = hbe_dPBAaCXAsepPM1;
102  hbe(hbdon_PBA, hbacc_CXA, seq_sep_other) = hbe_dPBAaCXAsepother;
103  hbe(hbdon_CXA, hbacc_CXA, seq_sep_other) = hbe_dCXAaCXA;
104  hbe(hbdon_IMD, hbacc_CXA, seq_sep_other) = hbe_dIMDaCXA;
105  hbe(hbdon_IME, hbacc_CXA, seq_sep_other) = hbe_dIMEaCXA;
106  hbe(hbdon_IND, hbacc_CXA, seq_sep_other) = hbe_dINDaCXA;
107  hbe(hbdon_AMO, hbacc_CXA, seq_sep_other) = hbe_dAMOaCXA;
108  hbe(hbdon_GDE, hbacc_CXA, seq_sep_other) = hbe_dGDEaCXA;
109  hbe(hbdon_GDH, hbacc_CXA, seq_sep_other) = hbe_dGDHaCXA;
110  hbe(hbdon_AHX, hbacc_CXA, seq_sep_other) = hbe_dAHXaCXA;
111  hbe(hbdon_HXL, hbacc_CXA, seq_sep_other) = hbe_dHXLaCXA;
112  hbe(hbdon_H2O, hbacc_CXA, seq_sep_other) = hbe_dH2OaCXA;
113  hbe(hbdon_PBA, hbacc_CXL, seq_sep_PM1) = hbe_dPBAaCXLsepPM1;
114  hbe(hbdon_PBA, hbacc_CXL, seq_sep_other) = hbe_dPBAaCXLsepother;
115  hbe(hbdon_CXA, hbacc_CXL, seq_sep_other) = hbe_dCXAaCXL;
116  hbe(hbdon_IMD, hbacc_CXL, seq_sep_other) = hbe_dIMDaCXL;
117  hbe(hbdon_IME, hbacc_CXL, seq_sep_other) = hbe_dIMEaCXL;
118  hbe(hbdon_IND, hbacc_CXL, seq_sep_other) = hbe_dINDaCXL;
119  hbe(hbdon_AMO, hbacc_CXL, seq_sep_other) = hbe_dAMOaCXL;
120  hbe(hbdon_GDE, hbacc_CXL, seq_sep_other) = hbe_dGDEaCXL;
121  hbe(hbdon_GDH, hbacc_CXL, seq_sep_other) = hbe_dGDHaCXL;
122  hbe(hbdon_AHX, hbacc_CXL, seq_sep_other) = hbe_dAHXaCXL;
123  hbe(hbdon_HXL, hbacc_CXL, seq_sep_other) = hbe_dHXLaCXL;
124  hbe(hbdon_H2O, hbacc_CXL, seq_sep_other) = hbe_dH2OaCXL;
125  hbe(hbdon_PBA, hbacc_IMD, seq_sep_PM1) = hbe_dPBAaIMDsepPM1;
126  hbe(hbdon_PBA, hbacc_IMD, seq_sep_other) = hbe_dPBAaIMDsepother;
127  hbe(hbdon_CXA, hbacc_IMD, seq_sep_other) = hbe_dCXAaIMD;
128  hbe(hbdon_IMD, hbacc_IMD, seq_sep_other) = hbe_dIMDaIMD;
129  hbe(hbdon_IME, hbacc_IMD, seq_sep_other) = hbe_dIMEaIMD;
130  hbe(hbdon_IND, hbacc_IMD, seq_sep_other) = hbe_dINDaIMD;
131  hbe(hbdon_AMO, hbacc_IMD, seq_sep_other) = hbe_dAMOaIMD;
132  hbe(hbdon_GDE, hbacc_IMD, seq_sep_other) = hbe_dGDEaIMD;
133  hbe(hbdon_GDH, hbacc_IMD, seq_sep_other) = hbe_dGDHaIMD;
134  hbe(hbdon_AHX, hbacc_IMD, seq_sep_other) = hbe_dAHXaIMD;
135  hbe(hbdon_HXL, hbacc_IMD, seq_sep_other) = hbe_dHXLaIMD;
136  hbe(hbdon_H2O, hbacc_IMD, seq_sep_other) = hbe_dH2OaIMD;
137  hbe(hbdon_PBA, hbacc_IME, seq_sep_PM1) = hbe_dPBAaIMEsepPM1;
138  hbe(hbdon_PBA, hbacc_IME, seq_sep_other) = hbe_dPBAaIMEsepother;
139  hbe(hbdon_CXA, hbacc_IME, seq_sep_other) = hbe_dCXAaIME;
140  hbe(hbdon_IMD, hbacc_IME, seq_sep_other) = hbe_dIMDaIME;
141  hbe(hbdon_IME, hbacc_IME, seq_sep_other) = hbe_dIMEaIME;
142  hbe(hbdon_IND, hbacc_IME, seq_sep_other) = hbe_dINDaIME;
143  hbe(hbdon_AMO, hbacc_IME, seq_sep_other) = hbe_dAMOaIME;
144  hbe(hbdon_GDE, hbacc_IME, seq_sep_other) = hbe_dGDEaIME;
145  hbe(hbdon_GDH, hbacc_IME, seq_sep_other) = hbe_dGDHaIME;
146  hbe(hbdon_AHX, hbacc_IME, seq_sep_other) = hbe_dAHXaIME;
147  hbe(hbdon_HXL, hbacc_IME, seq_sep_other) = hbe_dHXLaIME;
148  hbe(hbdon_H2O, hbacc_IME, seq_sep_other) = hbe_dH2OaIME;
149  hbe(hbdon_PBA, hbacc_AHX, seq_sep_PM1) = hbe_dPBAaAHXsepPM1;
150  hbe(hbdon_PBA, hbacc_AHX, seq_sep_other) = hbe_dPBAaAHXsepother;
151  hbe(hbdon_CXA, hbacc_AHX, seq_sep_other) = hbe_dCXAaAHX;
152  hbe(hbdon_IMD, hbacc_AHX, seq_sep_other) = hbe_dIMDaAHX;
153  hbe(hbdon_IME, hbacc_AHX, seq_sep_other) = hbe_dIMEaAHX;
154  hbe(hbdon_IND, hbacc_AHX, seq_sep_other) = hbe_dINDaAHX;
155  hbe(hbdon_AMO, hbacc_AHX, seq_sep_other) = hbe_dAMOaAHX;
156  hbe(hbdon_GDE, hbacc_AHX, seq_sep_other) = hbe_dGDEaAHX;
157  hbe(hbdon_GDH, hbacc_AHX, seq_sep_other) = hbe_dGDHaAHX;
158  hbe(hbdon_AHX, hbacc_AHX, seq_sep_other) = hbe_dAHXaAHX;
159  hbe(hbdon_HXL, hbacc_AHX, seq_sep_other) = hbe_dHXLaAHX;
160  hbe(hbdon_H2O, hbacc_AHX, seq_sep_other) = hbe_dH2OaAHX;
161  hbe(hbdon_PBA, hbacc_HXL, seq_sep_PM1) = hbe_dPBAaHXLsepPM1;
162  hbe(hbdon_PBA, hbacc_HXL, seq_sep_other) = hbe_dPBAaHXLsepother;
163  hbe(hbdon_CXA, hbacc_HXL, seq_sep_other) = hbe_dCXAaHXL;
164  hbe(hbdon_IMD, hbacc_HXL, seq_sep_other) = hbe_dIMDaHXL;
165  hbe(hbdon_IME, hbacc_HXL, seq_sep_other) = hbe_dIMEaHXL;
166  hbe(hbdon_IND, hbacc_HXL, seq_sep_other) = hbe_dINDaHXL;
167  hbe(hbdon_AMO, hbacc_HXL, seq_sep_other) = hbe_dAMOaHXL;
168  hbe(hbdon_GDE, hbacc_HXL, seq_sep_other) = hbe_dGDEaHXL;
169  hbe(hbdon_GDH, hbacc_HXL, seq_sep_other) = hbe_dGDHaHXL;
170  hbe(hbdon_AHX, hbacc_HXL, seq_sep_other) = hbe_dAHXaHXL;
171  hbe(hbdon_HXL, hbacc_HXL, seq_sep_other) = hbe_dHXLaHXL;
172  hbe(hbdon_H2O, hbacc_HXL, seq_sep_other) = hbe_dH2OaHXL;
173  hbe(hbdon_PBA, hbacc_PCA_DNA, seq_sep_PM1) = hbe_dPBAaPCA_DNAsepPM1;
174  hbe(hbdon_PBA, hbacc_PCA_DNA, seq_sep_other) = hbe_dPBAaPCA_DNAsepother;
175  hbe(hbdon_CXA, hbacc_PCA_DNA, seq_sep_other) = hbe_dCXAaPCA_DNA;
176  hbe(hbdon_IMD, hbacc_PCA_DNA, seq_sep_other) = hbe_dIMDaPCA_DNA;
177  hbe(hbdon_IME, hbacc_PCA_DNA, seq_sep_other) = hbe_dIMEaPCA_DNA;
178  hbe(hbdon_IND, hbacc_PCA_DNA, seq_sep_other) = hbe_dINDaPCA_DNA;
179  hbe(hbdon_AMO, hbacc_PCA_DNA, seq_sep_other) = hbe_dAMOaPCA_DNA;
180  hbe(hbdon_GDE, hbacc_PCA_DNA, seq_sep_other) = hbe_dGDEaPCA_DNA;
181  hbe(hbdon_GDH, hbacc_PCA_DNA, seq_sep_other) = hbe_dGDHaPCA_DNA;
182  hbe(hbdon_AHX, hbacc_PCA_DNA, seq_sep_other) = hbe_dAHXaPCA_DNA;
183  hbe(hbdon_HXL, hbacc_PCA_DNA, seq_sep_other) = hbe_dHXLaPCA_DNA;
184  hbe(hbdon_H2O, hbacc_PCA_DNA, seq_sep_other) = hbe_dH2OaPCA_DNA;
185  hbe(hbdon_PBA, hbacc_PCA_RNA, seq_sep_PM1) = hbe_dPBAaPCA_RNAsepPM1;
186  hbe(hbdon_PBA, hbacc_PCA_RNA, seq_sep_other) = hbe_dPBAaPCA_RNAsepother;
187  hbe(hbdon_CXA, hbacc_PCA_RNA, seq_sep_PM1) = hbe_dCXAaPCA_RNAsepPM1;
188  hbe(hbdon_CXA, hbacc_PCA_RNA, seq_sep_other) = hbe_dCXAaPCA_RNAsepother;
189  hbe(hbdon_IMD, hbacc_PCA_RNA, seq_sep_PM1) = hbe_dIMDaPCA_RNAsepPM1;
190  hbe(hbdon_IMD, hbacc_PCA_RNA, seq_sep_other) = hbe_dIMDaPCA_RNAsepother;
191  hbe(hbdon_IME, hbacc_PCA_RNA, seq_sep_PM1) = hbe_dIMEaPCA_RNAsepPM1;
192  hbe(hbdon_IME, hbacc_PCA_RNA, seq_sep_other) = hbe_dIMEaPCA_RNAsepother;
193  hbe(hbdon_IND, hbacc_PCA_RNA, seq_sep_PM1) = hbe_dINDaPCA_RNAsepPM1;
194  hbe(hbdon_IND, hbacc_PCA_RNA, seq_sep_other) = hbe_dINDaPCA_RNAsepother;
195  hbe(hbdon_AMO, hbacc_PCA_RNA, seq_sep_PM1) = hbe_dAMOaPCA_RNAsepPM1;
196  hbe(hbdon_AMO, hbacc_PCA_RNA, seq_sep_other) = hbe_dAMOaPCA_RNAsepother;
197  hbe(hbdon_GDE, hbacc_PCA_RNA, seq_sep_PM1) = hbe_dGDEaPCA_RNAsepPM1;
198  hbe(hbdon_GDE, hbacc_PCA_RNA, seq_sep_other) = hbe_dGDEaPCA_RNAsepother;
199  hbe(hbdon_GDH, hbacc_PCA_RNA, seq_sep_PM1) = hbe_dGDHaPCA_RNAsepPM1;
200  hbe(hbdon_GDH, hbacc_PCA_RNA, seq_sep_other) = hbe_dGDHaPCA_RNAsepother;
201  hbe(hbdon_AHX, hbacc_PCA_RNA, seq_sep_PM1) = hbe_dAHXaPCA_RNAsepPM1;
202  hbe(hbdon_AHX, hbacc_PCA_RNA, seq_sep_other) = hbe_dAHXaPCA_RNAsepother;
203  hbe(hbdon_HXL, hbacc_PCA_RNA, seq_sep_PM1) = hbe_dHXLaPCA_RNAsepPM1;
204  hbe(hbdon_HXL, hbacc_PCA_RNA, seq_sep_other) = hbe_dHXLaPCA_RNAsepother;
205  hbe(hbdon_H2O, hbacc_PCA_RNA, seq_sep_other) = hbe_dH2OaPCA_RNA;
206  hbe(hbdon_PBA, hbacc_PES_DNA, seq_sep_PM1) = hbe_dPBAaPES_DNAsepPM1;
207  hbe(hbdon_PBA, hbacc_PES_DNA, seq_sep_other) = hbe_dPBAaPES_DNAsepother;
208  hbe(hbdon_CXA, hbacc_PES_DNA, seq_sep_other) = hbe_dCXAaPES_DNA;
209  hbe(hbdon_IMD, hbacc_PES_DNA, seq_sep_other) = hbe_dIMDaPES_DNA;
210  hbe(hbdon_IME, hbacc_PES_DNA, seq_sep_other) = hbe_dIMEaPES_DNA;
211  hbe(hbdon_IND, hbacc_PES_DNA, seq_sep_other) = hbe_dINDaPES_DNA;
212  hbe(hbdon_AMO, hbacc_PES_DNA, seq_sep_other) = hbe_dAMOaPES_DNA;
213  hbe(hbdon_GDE, hbacc_PES_DNA, seq_sep_other) = hbe_dGDEaPES_DNA;
214  hbe(hbdon_GDH, hbacc_PES_DNA, seq_sep_other) = hbe_dGDHaPES_DNA;
215  hbe(hbdon_AHX, hbacc_PES_DNA, seq_sep_other) = hbe_dAHXaPES_DNA;
216  hbe(hbdon_HXL, hbacc_PES_DNA, seq_sep_other) = hbe_dHXLaPES_DNA;
217  hbe(hbdon_H2O, hbacc_PES_DNA, seq_sep_other) = hbe_dH2OaPES_DNA;
218  hbe(hbdon_PBA, hbacc_PES_RNA, seq_sep_PM1) = hbe_dPBAaPES_RNAsepPM1;
219  hbe(hbdon_PBA, hbacc_PES_RNA, seq_sep_other) = hbe_dPBAaPES_RNAsepother;
220  hbe(hbdon_CXA, hbacc_PES_RNA, seq_sep_PM1) = hbe_dCXAaPES_RNAsepPM1;
221  hbe(hbdon_CXA, hbacc_PES_RNA, seq_sep_other) = hbe_dCXAaPES_RNAsepother;
222  hbe(hbdon_IMD, hbacc_PES_RNA, seq_sep_PM1) = hbe_dIMDaPES_RNAsepPM1;
223  hbe(hbdon_IMD, hbacc_PES_RNA, seq_sep_other) = hbe_dIMDaPES_RNAsepother;
224  hbe(hbdon_IME, hbacc_PES_RNA, seq_sep_PM1) = hbe_dIMEaPES_RNAsepPM1;
225  hbe(hbdon_IME, hbacc_PES_RNA, seq_sep_other) = hbe_dIMEaPES_RNAsepother;
226  hbe(hbdon_IND, hbacc_PES_RNA, seq_sep_PM1) = hbe_dINDaPES_RNAsepPM1;
227  hbe(hbdon_IND, hbacc_PES_RNA, seq_sep_other) = hbe_dINDaPES_RNAsepother;
228  hbe(hbdon_AMO, hbacc_PES_RNA, seq_sep_PM1) = hbe_dAMOaPES_RNAsepPM1;
229  hbe(hbdon_AMO, hbacc_PES_RNA, seq_sep_other) = hbe_dAMOaPES_RNAsepother;
230  hbe(hbdon_GDE, hbacc_PES_RNA, seq_sep_PM1) = hbe_dGDEaPES_RNAsepPM1;
231  hbe(hbdon_GDE, hbacc_PES_RNA, seq_sep_other) = hbe_dGDEaPES_RNAsepother;
232  hbe(hbdon_GDH, hbacc_PES_RNA, seq_sep_PM1) = hbe_dGDHaPES_RNAsepPM1;
233  hbe(hbdon_GDH, hbacc_PES_RNA, seq_sep_other) = hbe_dGDHaPES_RNAsepother;
234  hbe(hbdon_AHX, hbacc_PES_RNA, seq_sep_PM1) = hbe_dAHXaPES_RNAsepPM1;
235  hbe(hbdon_AHX, hbacc_PES_RNA, seq_sep_other) = hbe_dAHXaPES_RNAsepother;
236  hbe(hbdon_HXL, hbacc_PES_RNA, seq_sep_PM1) = hbe_dHXLaPES_RNAsepPM1;
237  hbe(hbdon_HXL, hbacc_PES_RNA, seq_sep_other) = hbe_dHXLaPES_RNAsepother;
238  hbe(hbdon_H2O, hbacc_PES_RNA, seq_sep_other) = hbe_dH2OaPES_RNA;
239  hbe(hbdon_PBA, hbacc_RRI_DNA, seq_sep_PM1) = hbe_dPBAaRRI_DNAsepPM1;
240  hbe(hbdon_PBA, hbacc_RRI_DNA, seq_sep_other) = hbe_dPBAaRRI_DNAsepother;
241  hbe(hbdon_CXA, hbacc_RRI_DNA, seq_sep_other) = hbe_dCXAaRRI_DNA;
242  hbe(hbdon_IMD, hbacc_RRI_DNA, seq_sep_other) = hbe_dIMDaRRI_DNA;
243  hbe(hbdon_IME, hbacc_RRI_DNA, seq_sep_other) = hbe_dIMEaRRI_DNA;
244  hbe(hbdon_IND, hbacc_RRI_DNA, seq_sep_other) = hbe_dINDaRRI_DNA;
245  hbe(hbdon_AMO, hbacc_RRI_DNA, seq_sep_other) = hbe_dAMOaRRI_DNA;
246  hbe(hbdon_GDE, hbacc_RRI_DNA, seq_sep_other) = hbe_dGDEaRRI_DNA;
247  hbe(hbdon_GDH, hbacc_RRI_DNA, seq_sep_other) = hbe_dGDHaRRI_DNA;
248  hbe(hbdon_AHX, hbacc_RRI_DNA, seq_sep_other) = hbe_dAHXaRRI_DNA;
249  hbe(hbdon_HXL, hbacc_RRI_DNA, seq_sep_other) = hbe_dHXLaRRI_DNA;
250  hbe(hbdon_H2O, hbacc_RRI_DNA, seq_sep_other) = hbe_dH2OaRRI_DNA;
251  hbe(hbdon_PBA, hbacc_RRI_RNA, seq_sep_PM1) = hbe_dPBAaRRI_RNAsepPM1;
252  hbe(hbdon_PBA, hbacc_RRI_RNA, seq_sep_other) = hbe_dPBAaRRI_RNAsepother;
253  hbe(hbdon_CXA, hbacc_RRI_RNA, seq_sep_PM1) = hbe_dCXAaRRI_RNAsepPM1;
254  hbe(hbdon_CXA, hbacc_RRI_RNA, seq_sep_other) = hbe_dCXAaRRI_RNAsepother;
255  hbe(hbdon_IMD, hbacc_RRI_RNA, seq_sep_PM1) = hbe_dIMDaRRI_RNAsepPM1;
256  hbe(hbdon_IMD, hbacc_RRI_RNA, seq_sep_other) = hbe_dIMDaRRI_RNAsepother;
257  hbe(hbdon_IME, hbacc_RRI_RNA, seq_sep_PM1) = hbe_dIMEaRRI_RNAsepPM1;
258  hbe(hbdon_IME, hbacc_RRI_RNA, seq_sep_other) = hbe_dIMEaRRI_RNAsepother;
259  hbe(hbdon_IND, hbacc_RRI_RNA, seq_sep_PM1) = hbe_dINDaRRI_RNAsepPM1;
260  hbe(hbdon_IND, hbacc_RRI_RNA, seq_sep_other) = hbe_dINDaRRI_RNAsepother;
261  hbe(hbdon_AMO, hbacc_RRI_RNA, seq_sep_PM1) = hbe_dAMOaRRI_RNAsepPM1;
262  hbe(hbdon_AMO, hbacc_RRI_RNA, seq_sep_other) = hbe_dAMOaRRI_RNAsepother;
263  hbe(hbdon_GDE, hbacc_RRI_RNA, seq_sep_PM1) = hbe_dGDEaRRI_RNAsepPM1;
264  hbe(hbdon_GDE, hbacc_RRI_RNA, seq_sep_other) = hbe_dGDEaRRI_RNAsepother;
265  hbe(hbdon_GDH, hbacc_RRI_RNA, seq_sep_PM1) = hbe_dGDHaRRI_RNAsepPM1;
266  hbe(hbdon_GDH, hbacc_RRI_RNA, seq_sep_other) = hbe_dGDHaRRI_RNAsepother;
267  hbe(hbdon_AHX, hbacc_RRI_RNA, seq_sep_PM1) = hbe_dAHXaRRI_RNAsepPM1;
268  hbe(hbdon_AHX, hbacc_RRI_RNA, seq_sep_other) = hbe_dAHXaRRI_RNAsepother;
269  hbe(hbdon_HXL, hbacc_RRI_RNA, seq_sep_PM1) = hbe_dHXLaRRI_RNAsepPM1;
270  hbe(hbdon_HXL, hbacc_RRI_RNA, seq_sep_other) = hbe_dHXLaRRI_RNAsepother;
271  hbe(hbdon_H2O, hbacc_RRI_RNA, seq_sep_other) = hbe_dH2OaRRI_RNA;
272  hbe(hbdon_PBA, hbacc_H2O, seq_sep_other) = hbe_dPBAaH2O;
273  hbe(hbdon_CXA, hbacc_H2O, seq_sep_other) = hbe_dCXAaH2O;
274  hbe(hbdon_IMD, hbacc_H2O, seq_sep_other) = hbe_dIMDaH2O;
275  hbe(hbdon_IME, hbacc_H2O, seq_sep_other) = hbe_dIMEaH2O;
276  hbe(hbdon_IND, hbacc_H2O, seq_sep_other) = hbe_dINDaH2O;
277  hbe(hbdon_AMO, hbacc_H2O, seq_sep_other) = hbe_dAMOaH2O;
278  hbe(hbdon_GDE, hbacc_H2O, seq_sep_other) = hbe_dGDEaH2O;
279  hbe(hbdon_GDH, hbacc_H2O, seq_sep_other) = hbe_dGDHaH2O;
280  hbe(hbdon_AHX, hbacc_H2O, seq_sep_other) = hbe_dAHXaH2O;
281  hbe(hbdon_HXL, hbacc_H2O, seq_sep_other) = hbe_dHXLaH2O;
282  hbe(hbdon_H2O, hbacc_H2O, seq_sep_other) = hbe_dH2OaH2O;
283  hbe(hbdon_GENERIC_BB, hbacc_PBA, seq_sep_PM1) = hbe_GENERIC_SP2BB_SR;
284  hbe(hbdon_GENERIC_BB, hbacc_PBA, seq_sep_other) = hbe_GENERIC_SP2BB_LR;
285  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BB_SR;
286  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BB_LR;
287  hbe(hbdon_PBA, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BB_SR;
288  hbe(hbdon_PBA, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BB_LR;
289  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BB_SR;
290  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BB_LR;
291  hbe(hbdon_PBA, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BB_SR;
292  hbe(hbdon_PBA, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BB_LR;
293  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBB_SR;
294  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBB_LR;
295  hbe(hbdon_PBA, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBB_SR;
296  hbe(hbdon_PBA, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBB_LR;
297  hbe(hbdon_GENERIC_BB, hbacc_CXA, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
298  hbe(hbdon_GENERIC_BB, hbacc_CXA, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
299  hbe(hbdon_GENERIC_BB, hbacc_CXL, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
300  hbe(hbdon_GENERIC_BB, hbacc_CXL, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
301  hbe(hbdon_GENERIC_BB, hbacc_PCA_DNA, seq_sep_PM1) = hbe_GENERIC_SP2BB_SR;
302  hbe(hbdon_GENERIC_BB, hbacc_PCA_DNA, seq_sep_other) = hbe_GENERIC_SP2BB_LR;
303  hbe(hbdon_GENERIC_BB, hbacc_PCA_RNA, seq_sep_PM1) = hbe_GENERIC_SP2BB_SR;
304  hbe(hbdon_GENERIC_BB, hbacc_PCA_RNA, seq_sep_other) = hbe_GENERIC_SP2BB_LR;
305  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
306  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
307  hbe(hbdon_GENERIC_BB, hbacc_AHX, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
308  hbe(hbdon_GENERIC_BB, hbacc_AHX, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
309  hbe(hbdon_GENERIC_BB, hbacc_HXL, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
310  hbe(hbdon_GENERIC_BB, hbacc_HXL, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
311  hbe(hbdon_GENERIC_BB, hbacc_H2O, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
312  hbe(hbdon_GENERIC_BB, hbacc_PES_DNA, seq_sep_PM1) = hbe_GENERIC_SP2BB_SR;
313  hbe(hbdon_GENERIC_BB, hbacc_PES_DNA, seq_sep_other) = hbe_GENERIC_SP2BB_LR;
314  hbe(hbdon_GENERIC_BB, hbacc_PES_RNA, seq_sep_PM1) = hbe_GENERIC_SP2BB_SR;
315  hbe(hbdon_GENERIC_BB, hbacc_PES_RNA, seq_sep_other) = hbe_GENERIC_SP2BB_LR;
316  hbe(hbdon_GENERIC_BB, hbacc_RRI_DNA, seq_sep_PM1) = hbe_GENERIC_SP3BB_SR;
317  hbe(hbdon_GENERIC_BB, hbacc_RRI_DNA, seq_sep_other) = hbe_GENERIC_SP3BB_LR;
318  hbe(hbdon_GENERIC_BB, hbacc_RRI_RNA, seq_sep_PM1) = hbe_GENERIC_SP3BB_SR;
319  hbe(hbdon_GENERIC_BB, hbacc_RRI_RNA, seq_sep_other) = hbe_GENERIC_SP3BB_LR;
320  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
321  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
322  hbe(hbdon_GENERIC_BB, hbacc_IMD, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
323  hbe(hbdon_GENERIC_BB, hbacc_IMD, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
324  hbe(hbdon_GENERIC_BB, hbacc_IME, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
325  hbe(hbdon_GENERIC_BB, hbacc_IME, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
326  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
327  hbe(hbdon_GENERIC_BB, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
328  hbe(hbdon_GENERIC_SC, hbacc_PBA, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
329  hbe(hbdon_GENERIC_SC, hbacc_PBA, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
330  hbe(hbdon_GENERIC_SC, hbacc_PES_DNA, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
331  hbe(hbdon_GENERIC_SC, hbacc_PES_DNA, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
332  hbe(hbdon_GENERIC_SC, hbacc_PES_RNA, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
333  hbe(hbdon_GENERIC_SC, hbacc_PES_RNA, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
334  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
335  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
336  hbe(hbdon_CXA, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
337  hbe(hbdon_CXA, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
338  hbe(hbdon_IMD, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
339  hbe(hbdon_IMD, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
340  hbe(hbdon_IME, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
341  hbe(hbdon_IME, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
342  hbe(hbdon_IND, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
343  hbe(hbdon_IND, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
344  hbe(hbdon_AMO, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
345  hbe(hbdon_AMO, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
346  hbe(hbdon_GDE, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
347  hbe(hbdon_GDE, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
348  hbe(hbdon_GDH, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
349  hbe(hbdon_GDH, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
350  hbe(hbdon_AHX, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
351  hbe(hbdon_AHX, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
352  hbe(hbdon_HXL, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
353  hbe(hbdon_HXL, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
354  hbe(hbdon_H2O, hbacc_GENERIC_SP2BB, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
355  hbe(hbdon_H2O, hbacc_GENERIC_SP2BB, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
356  hbe(hbdon_GENERIC_SC, hbacc_RRI_DNA, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
357  hbe(hbdon_GENERIC_SC, hbacc_RRI_DNA, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
358  hbe(hbdon_GENERIC_SC, hbacc_RRI_RNA, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
359  hbe(hbdon_GENERIC_SC, hbacc_RRI_RNA, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
360  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
361  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
362  hbe(hbdon_CXA, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
363  hbe(hbdon_CXA, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
364  hbe(hbdon_IMD, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
365  hbe(hbdon_IMD, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
366  hbe(hbdon_IME, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
367  hbe(hbdon_IME, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
368  hbe(hbdon_IND, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
369  hbe(hbdon_IND, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
370  hbe(hbdon_AMO, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
371  hbe(hbdon_AMO, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
372  hbe(hbdon_GDE, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
373  hbe(hbdon_GDE, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
374  hbe(hbdon_GDH, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
375  hbe(hbdon_GDH, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
376  hbe(hbdon_AHX, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
377  hbe(hbdon_AHX, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
378  hbe(hbdon_HXL, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
379  hbe(hbdon_HXL, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
380  hbe(hbdon_H2O, hbacc_GENERIC_SP3BB, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
381  hbe(hbdon_H2O, hbacc_GENERIC_SP3BB, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
382  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
383  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
384  hbe(hbdon_CXA, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
385  hbe(hbdon_CXA, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
386  hbe(hbdon_IMD, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
387  hbe(hbdon_IMD, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
388  hbe(hbdon_IME, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
389  hbe(hbdon_IME, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
390  hbe(hbdon_IND, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
391  hbe(hbdon_IND, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
392  hbe(hbdon_AMO, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
393  hbe(hbdon_AMO, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
394  hbe(hbdon_GDE, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
395  hbe(hbdon_GDE, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
396  hbe(hbdon_GDH, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
397  hbe(hbdon_GDH, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
398  hbe(hbdon_AHX, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
399  hbe(hbdon_AHX, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
400  hbe(hbdon_HXL, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
401  hbe(hbdon_HXL, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
402  hbe(hbdon_H2O, hbacc_GENERIC_RINGBB, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
403  hbe(hbdon_H2O, hbacc_GENERIC_RINGBB, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
404  hbe(hbdon_GENERIC_SC, hbacc_CXA, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
405  hbe(hbdon_GENERIC_SC, hbacc_CXA, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
406  hbe(hbdon_GENERIC_SC, hbacc_CXL, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
407  hbe(hbdon_GENERIC_SC, hbacc_CXL, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
408  hbe(hbdon_GENERIC_SC, hbacc_PCA_DNA, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
409  hbe(hbdon_GENERIC_SC, hbacc_PCA_DNA, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
410  hbe(hbdon_GENERIC_SC, hbacc_PCA_RNA, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
411  hbe(hbdon_GENERIC_SC, hbacc_PCA_RNA, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
412  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
413  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
414  hbe(hbdon_PBA, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2BSC_SR;
415  hbe(hbdon_PBA, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2BSC_LR;
416  hbe(hbdon_CXA, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
417  hbe(hbdon_CXA, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
418  hbe(hbdon_IMD, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
419  hbe(hbdon_IMD, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
420  hbe(hbdon_IME, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
421  hbe(hbdon_IME, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
422  hbe(hbdon_IND, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
423  hbe(hbdon_IND, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
424  hbe(hbdon_AMO, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
425  hbe(hbdon_AMO, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
426  hbe(hbdon_GDE, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
427  hbe(hbdon_GDE, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
428  hbe(hbdon_GDH, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
429  hbe(hbdon_GDH, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
430  hbe(hbdon_AHX, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
431  hbe(hbdon_AHX, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
432  hbe(hbdon_HXL, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
433  hbe(hbdon_HXL, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
434  hbe(hbdon_H2O, hbacc_GENERIC_SP2SC, seq_sep_PM1) = hbe_GENERIC_SP2SCSC_SR;
435  hbe(hbdon_H2O, hbacc_GENERIC_SP2SC, seq_sep_other) = hbe_GENERIC_SP2SCSC_LR;
436  hbe(hbdon_GENERIC_SC, hbacc_AHX, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
437  hbe(hbdon_GENERIC_SC, hbacc_AHX, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
438  hbe(hbdon_GENERIC_SC, hbacc_HXL, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
439  hbe(hbdon_GENERIC_SC, hbacc_HXL, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
440  hbe(hbdon_GENERIC_SC, hbacc_H2O, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
441  hbe(hbdon_GENERIC_SC, hbacc_H2O, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
442  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
443  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
444  hbe(hbdon_PBA, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3BSC_SR;
445  hbe(hbdon_PBA, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3BSC_LR;
446  hbe(hbdon_CXA, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
447  hbe(hbdon_CXA, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
448  hbe(hbdon_IMD, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
449  hbe(hbdon_IMD, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
450  hbe(hbdon_IME, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
451  hbe(hbdon_IME, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
452  hbe(hbdon_IND, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
453  hbe(hbdon_IND, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
454  hbe(hbdon_AMO, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
455  hbe(hbdon_AMO, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
456  hbe(hbdon_GDE, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
457  hbe(hbdon_GDE, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
458  hbe(hbdon_GDH, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
459  hbe(hbdon_GDH, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
460  hbe(hbdon_AHX, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
461  hbe(hbdon_AHX, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
462  hbe(hbdon_HXL, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
463  hbe(hbdon_HXL, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
464  hbe(hbdon_H2O, hbacc_GENERIC_SP3SC, seq_sep_PM1) = hbe_GENERIC_SP3SCSC_SR;
465  hbe(hbdon_H2O, hbacc_GENERIC_SP3SC, seq_sep_other) = hbe_GENERIC_SP3SCSC_LR;
466  hbe(hbdon_GENERIC_SC, hbacc_IMD, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
467  hbe(hbdon_GENERIC_SC, hbacc_IMD, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
468  hbe(hbdon_GENERIC_SC, hbacc_IME, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
469  hbe(hbdon_GENERIC_SC, hbacc_IME, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
470  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
471  hbe(hbdon_GENERIC_SC, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
472  hbe(hbdon_PBA, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGBSC_SR;
473  hbe(hbdon_PBA, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGBSC_LR;
474  hbe(hbdon_CXA, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
475  hbe(hbdon_CXA, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
476  hbe(hbdon_IMD, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
477  hbe(hbdon_IMD, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
478  hbe(hbdon_IME, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
479  hbe(hbdon_IME, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
480  hbe(hbdon_IND, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
481  hbe(hbdon_IND, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
482  hbe(hbdon_AMO, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
483  hbe(hbdon_AMO, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
484  hbe(hbdon_GDE, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
485  hbe(hbdon_GDE, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
486  hbe(hbdon_GDH, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
487  hbe(hbdon_GDH, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
488  hbe(hbdon_AHX, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
489  hbe(hbdon_AHX, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
490  hbe(hbdon_HXL, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
491  hbe(hbdon_HXL, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
492  hbe(hbdon_H2O, hbacc_GENERIC_RINGSC, seq_sep_PM1) = hbe_GENERIC_RINGSCSC_SR;
493  hbe(hbdon_H2O, hbacc_GENERIC_RINGSC, seq_sep_other) = hbe_GENERIC_RINGSCSC_LR;
494 }
495 ObjexxFCL::FArray3D<HBEvalType> const HBEval_lookup(hbdon_MAX, hbacc_MAX, seq_sep_MAX, HBEval_lookup_initializer);
496 
497 chemical::Hybridization
498 get_hbe_acc_hybrid( HBEvalType const & hbe )
499 {
500  using namespace chemical;
501  switch(hbe){
502  case hbe_NONE: return SP2_HYBRID; break;
503  case hbe_dPBAaPBAsepM4helix: return SP2_HYBRID; break;
504  case hbe_dPBAaPBAsepM3turn: return SP2_HYBRID; break;
505  case hbe_dPBAaPBAsepM2turn: return SP2_HYBRID; break;
506  case hbe_dPBAaPBAsepPM1: return SP2_HYBRID; break;
507  case hbe_dPBAaPBAsepP2turn: return SP2_HYBRID; break;
508  case hbe_dPBAaPBAsepP3turn: return SP2_HYBRID; break;
509  case hbe_dPBAaPBAsepP4helix: return SP2_HYBRID; break;
510  case hbe_dPBAaPBAsepother: return SP2_HYBRID; break;
511  case hbe_dCXAaPBAsepPM1: return SP2_HYBRID; break;
512  case hbe_dIMDaPBAsepPM1: return SP2_HYBRID; break;
513  case hbe_dIMEaPBAsepPM1: return SP2_HYBRID; break;
514  case hbe_dINDaPBAsepPM1: return SP2_HYBRID; break;
515  case hbe_dAMOaPBAsepPM1: return SP2_HYBRID; break;
516  case hbe_dGDEaPBAsepPM1: return SP2_HYBRID; break;
517  case hbe_dGDHaPBAsepPM1: return SP2_HYBRID; break;
518  case hbe_dAHXaPBAsepPM1: return SP2_HYBRID; break;
519  case hbe_dHXLaPBAsepPM1: return SP2_HYBRID; break;
520  case hbe_dCXAaPBAsepother: return SP2_HYBRID; break;
521  case hbe_dIMDaPBAsepother: return SP2_HYBRID; break;
522  case hbe_dIMEaPBAsepother: return SP2_HYBRID; break;
523  case hbe_dINDaPBAsepother: return SP2_HYBRID; break;
524  case hbe_dAMOaPBAsepother: return SP2_HYBRID; break;
525  case hbe_dGDEaPBAsepother: return SP2_HYBRID; break;
526  case hbe_dGDHaPBAsepother: return SP2_HYBRID; break;
527  case hbe_dAHXaPBAsepother: return SP2_HYBRID; break;
528  case hbe_dHXLaPBAsepother: return SP2_HYBRID; break;
529  case hbe_dH2OaPBA: return SP2_HYBRID; break;
530  case hbe_dPBAaCXAsepPM1: return SP2_HYBRID; break;
531  case hbe_dPBAaCXAsepother: return SP2_HYBRID; break;
532  case hbe_dCXAaCXA: return SP2_HYBRID; break;
533  case hbe_dIMDaCXA: return SP2_HYBRID; break;
534  case hbe_dIMEaCXA: return SP2_HYBRID; break;
535  case hbe_dINDaCXA: return SP2_HYBRID; break;
536  case hbe_dAMOaCXA: return SP2_HYBRID; break;
537  case hbe_dGDEaCXA: return SP2_HYBRID; break;
538  case hbe_dGDHaCXA: return SP2_HYBRID; break;
539  case hbe_dAHXaCXA: return SP2_HYBRID; break;
540  case hbe_dHXLaCXA: return SP2_HYBRID; break;
541  case hbe_dH2OaCXA: return SP2_HYBRID; break;
542  case hbe_dPBAaCXLsepPM1: return SP2_HYBRID; break;
543  case hbe_dPBAaCXLsepother: return SP2_HYBRID; break;
544  case hbe_dCXAaCXL: return SP2_HYBRID; break;
545  case hbe_dIMDaCXL: return SP2_HYBRID; break;
546  case hbe_dIMEaCXL: return SP2_HYBRID; break;
547  case hbe_dINDaCXL: return SP2_HYBRID; break;
548  case hbe_dAMOaCXL: return SP2_HYBRID; break;
549  case hbe_dGDEaCXL: return SP2_HYBRID; break;
550  case hbe_dGDHaCXL: return SP2_HYBRID; break;
551  case hbe_dAHXaCXL: return SP2_HYBRID; break;
552  case hbe_dHXLaCXL: return SP2_HYBRID; break;
553  case hbe_dH2OaCXL: return SP2_HYBRID; break;
554  case hbe_dPBAaIMDsepPM1: return RING_HYBRID; break;
555  case hbe_dPBAaIMDsepother: return RING_HYBRID; break;
556  case hbe_dCXAaIMD: return RING_HYBRID; break;
557  case hbe_dIMDaIMD: return RING_HYBRID; break;
558  case hbe_dIMEaIMD: return RING_HYBRID; break;
559  case hbe_dINDaIMD: return RING_HYBRID; break;
560  case hbe_dAMOaIMD: return RING_HYBRID; break;
561  case hbe_dGDEaIMD: return RING_HYBRID; break;
562  case hbe_dGDHaIMD: return RING_HYBRID; break;
563  case hbe_dAHXaIMD: return RING_HYBRID; break;
564  case hbe_dHXLaIMD: return RING_HYBRID; break;
565  case hbe_dH2OaIMD: return RING_HYBRID; break;
566  case hbe_dPBAaIMEsepPM1: return RING_HYBRID; break;
567  case hbe_dPBAaIMEsepother: return RING_HYBRID; break;
568  case hbe_dCXAaIME: return RING_HYBRID; break;
569  case hbe_dIMDaIME: return RING_HYBRID; break;
570  case hbe_dIMEaIME: return RING_HYBRID; break;
571  case hbe_dINDaIME: return RING_HYBRID; break;
572  case hbe_dAMOaIME: return RING_HYBRID; break;
573  case hbe_dGDEaIME: return RING_HYBRID; break;
574  case hbe_dGDHaIME: return RING_HYBRID; break;
575  case hbe_dAHXaIME: return RING_HYBRID; break;
576  case hbe_dHXLaIME: return RING_HYBRID; break;
577  case hbe_dH2OaIME: return RING_HYBRID; break;
578  case hbe_dPBAaAHXsepPM1: return SP3_HYBRID; break;
579  case hbe_dPBAaAHXsepother: return SP3_HYBRID; break;
580  case hbe_dCXAaAHX: return SP3_HYBRID; break;
581  case hbe_dIMDaAHX: return SP3_HYBRID; break;
582  case hbe_dIMEaAHX: return SP3_HYBRID; break;
583  case hbe_dINDaAHX: return SP3_HYBRID; break;
584  case hbe_dAMOaAHX: return SP3_HYBRID; break;
585  case hbe_dGDEaAHX: return SP3_HYBRID; break;
586  case hbe_dGDHaAHX: return SP3_HYBRID; break;
587  case hbe_dAHXaAHX: return SP3_HYBRID; break;
588  case hbe_dHXLaAHX: return SP3_HYBRID; break;
589  case hbe_dH2OaAHX: return SP3_HYBRID; break;
590  case hbe_dPBAaHXLsepPM1: return SP3_HYBRID; break;
591  case hbe_dPBAaHXLsepother: return SP3_HYBRID; break;
592  case hbe_dCXAaHXL: return SP3_HYBRID; break;
593  case hbe_dIMDaHXL: return SP3_HYBRID; break;
594  case hbe_dIMEaHXL: return SP3_HYBRID; break;
595  case hbe_dINDaHXL: return SP3_HYBRID; break;
596  case hbe_dAMOaHXL: return SP3_HYBRID; break;
597  case hbe_dGDEaHXL: return SP3_HYBRID; break;
598  case hbe_dGDHaHXL: return SP3_HYBRID; break;
599  case hbe_dAHXaHXL: return SP3_HYBRID; break;
600  case hbe_dHXLaHXL: return SP3_HYBRID; break;
601  case hbe_dH2OaHXL: return SP3_HYBRID; break;
602  case hbe_dPBAaPCA_DNAsepPM1: return SP2_HYBRID; break;
603  case hbe_dPBAaPCA_DNAsepother: return SP2_HYBRID; break;
604  case hbe_dCXAaPCA_DNA: return SP2_HYBRID; break;
605  case hbe_dIMDaPCA_DNA: return SP2_HYBRID; break;
606  case hbe_dIMEaPCA_DNA: return SP2_HYBRID; break;
607  case hbe_dINDaPCA_DNA: return SP2_HYBRID; break;
608  case hbe_dAMOaPCA_DNA: return SP2_HYBRID; break;
609  case hbe_dGDEaPCA_DNA: return SP2_HYBRID; break;
610  case hbe_dGDHaPCA_DNA: return SP2_HYBRID; break;
611  case hbe_dAHXaPCA_DNA: return SP2_HYBRID; break;
612  case hbe_dHXLaPCA_DNA: return SP2_HYBRID; break;
613  case hbe_dH2OaPCA_DNA: return SP2_HYBRID; break;
614  case hbe_dPBAaPCA_RNAsepPM1: return SP2_HYBRID; break;
615  case hbe_dPBAaPCA_RNAsepother: return SP2_HYBRID; break;
616  case hbe_dCXAaPCA_RNAsepPM1: return SP2_HYBRID; break;
617  case hbe_dCXAaPCA_RNAsepother: return SP2_HYBRID; break;
618  case hbe_dIMDaPCA_RNAsepPM1: return SP2_HYBRID; break;
619  case hbe_dIMDaPCA_RNAsepother: return SP2_HYBRID; break;
620  case hbe_dIMEaPCA_RNAsepPM1: return SP2_HYBRID; break;
621  case hbe_dIMEaPCA_RNAsepother: return SP2_HYBRID; break;
622  case hbe_dINDaPCA_RNAsepPM1: return SP2_HYBRID; break;
623  case hbe_dINDaPCA_RNAsepother: return SP2_HYBRID; break;
624  case hbe_dAMOaPCA_RNAsepPM1: return SP2_HYBRID; break;
625  case hbe_dAMOaPCA_RNAsepother: return SP2_HYBRID; break;
626  case hbe_dGDEaPCA_RNAsepPM1: return SP2_HYBRID; break;
627  case hbe_dGDEaPCA_RNAsepother: return SP2_HYBRID; break;
628  case hbe_dGDHaPCA_RNAsepPM1: return SP2_HYBRID; break;
629  case hbe_dGDHaPCA_RNAsepother: return SP2_HYBRID; break;
630  case hbe_dAHXaPCA_RNAsepPM1: return SP2_HYBRID; break;
631  case hbe_dAHXaPCA_RNAsepother: return SP2_HYBRID; break;
632  case hbe_dHXLaPCA_RNAsepPM1: return SP2_HYBRID; break;
633  case hbe_dHXLaPCA_RNAsepother: return SP2_HYBRID; break;
634  case hbe_dH2OaPCA_RNA: return SP2_HYBRID; break;
635  case hbe_dPBAaPES_DNAsepPM1: return SP2_HYBRID; break;
636  case hbe_dPBAaPES_DNAsepother: return SP2_HYBRID; break;
637  case hbe_dCXAaPES_DNA: return SP2_HYBRID; break;
638  case hbe_dIMDaPES_DNA: return SP2_HYBRID; break;
639  case hbe_dIMEaPES_DNA: return SP2_HYBRID; break;
640  case hbe_dINDaPES_DNA: return SP2_HYBRID; break;
641  case hbe_dAMOaPES_DNA: return SP2_HYBRID; break;
642  case hbe_dGDEaPES_DNA: return SP2_HYBRID; break;
643  case hbe_dGDHaPES_DNA: return SP2_HYBRID; break;
644  case hbe_dAHXaPES_DNA: return SP2_HYBRID; break;
645  case hbe_dHXLaPES_DNA: return SP2_HYBRID; break;
646  case hbe_dH2OaPES_DNA: return SP2_HYBRID; break;
647  case hbe_dPBAaPES_RNAsepPM1: return SP2_HYBRID; break;
648  case hbe_dPBAaPES_RNAsepother: return SP2_HYBRID; break;
649  case hbe_dCXAaPES_RNAsepPM1: return SP2_HYBRID; break;
650  case hbe_dCXAaPES_RNAsepother: return SP2_HYBRID; break;
651  case hbe_dIMDaPES_RNAsepPM1: return SP2_HYBRID; break;
652  case hbe_dIMDaPES_RNAsepother: return SP2_HYBRID; break;
653  case hbe_dIMEaPES_RNAsepPM1: return SP2_HYBRID; break;
654  case hbe_dIMEaPES_RNAsepother: return SP2_HYBRID; break;
655  case hbe_dINDaPES_RNAsepPM1: return SP2_HYBRID; break;
656  case hbe_dINDaPES_RNAsepother: return SP2_HYBRID; break;
657  case hbe_dAMOaPES_RNAsepPM1: return SP2_HYBRID; break;
658  case hbe_dAMOaPES_RNAsepother: return SP2_HYBRID; break;
659  case hbe_dGDEaPES_RNAsepPM1: return SP2_HYBRID; break;
660  case hbe_dGDEaPES_RNAsepother: return SP2_HYBRID; break;
661  case hbe_dGDHaPES_RNAsepPM1: return SP2_HYBRID; break;
662  case hbe_dGDHaPES_RNAsepother: return SP2_HYBRID; break;
663  case hbe_dAHXaPES_RNAsepPM1: return SP2_HYBRID; break;
664  case hbe_dAHXaPES_RNAsepother: return SP2_HYBRID; break;
665  case hbe_dHXLaPES_RNAsepPM1: return SP2_HYBRID; break;
666  case hbe_dHXLaPES_RNAsepother: return SP2_HYBRID; break;
667  case hbe_dH2OaPES_RNA: return SP2_HYBRID; break;
668  case hbe_dPBAaRRI_DNAsepPM1: return SP3_HYBRID; break;
669  case hbe_dPBAaRRI_DNAsepother: return SP3_HYBRID; break;
670  case hbe_dCXAaRRI_DNA: return SP3_HYBRID; break;
671  case hbe_dIMDaRRI_DNA: return SP3_HYBRID; break;
672  case hbe_dIMEaRRI_DNA: return SP3_HYBRID; break;
673  case hbe_dINDaRRI_DNA: return SP3_HYBRID; break;
674  case hbe_dAMOaRRI_DNA: return SP3_HYBRID; break;
675  case hbe_dGDEaRRI_DNA: return SP3_HYBRID; break;
676  case hbe_dGDHaRRI_DNA: return SP3_HYBRID; break;
677  case hbe_dAHXaRRI_DNA: return SP3_HYBRID; break;
678  case hbe_dHXLaRRI_DNA: return SP3_HYBRID; break;
679  case hbe_dH2OaRRI_DNA: return SP3_HYBRID; break;
680  case hbe_dPBAaRRI_RNAsepPM1: return SP3_HYBRID; break;
681  case hbe_dPBAaRRI_RNAsepother: return SP3_HYBRID; break;
682  case hbe_dCXAaRRI_RNAsepPM1: return SP3_HYBRID; break;
683  case hbe_dCXAaRRI_RNAsepother: return SP3_HYBRID; break;
684  case hbe_dIMDaRRI_RNAsepPM1: return SP3_HYBRID; break;
685  case hbe_dIMDaRRI_RNAsepother: return SP3_HYBRID; break;
686  case hbe_dIMEaRRI_RNAsepPM1: return SP3_HYBRID; break;
687  case hbe_dIMEaRRI_RNAsepother: return SP3_HYBRID; break;
688  case hbe_dINDaRRI_RNAsepPM1: return SP3_HYBRID; break;
689  case hbe_dINDaRRI_RNAsepother: return SP3_HYBRID; break;
690  case hbe_dAMOaRRI_RNAsepPM1: return SP3_HYBRID; break;
691  case hbe_dAMOaRRI_RNAsepother: return SP3_HYBRID; break;
692  case hbe_dGDEaRRI_RNAsepPM1: return SP3_HYBRID; break;
693  case hbe_dGDEaRRI_RNAsepother: return SP3_HYBRID; break;
694  case hbe_dGDHaRRI_RNAsepPM1: return SP3_HYBRID; break;
695  case hbe_dGDHaRRI_RNAsepother: return SP3_HYBRID; break;
696  case hbe_dAHXaRRI_RNAsepPM1: return SP3_HYBRID; break;
697  case hbe_dAHXaRRI_RNAsepother: return SP3_HYBRID; break;
698  case hbe_dHXLaRRI_RNAsepPM1: return SP3_HYBRID; break;
699  case hbe_dHXLaRRI_RNAsepother: return SP3_HYBRID; break;
700  case hbe_dH2OaRRI_RNA: return SP3_HYBRID; break;
701  case hbe_dPBAaH2O: return SP3_HYBRID; break;
702  case hbe_dCXAaH2O: return SP3_HYBRID; break;
703  case hbe_dIMDaH2O: return SP3_HYBRID; break;
704  case hbe_dIMEaH2O: return SP3_HYBRID; break;
705  case hbe_dINDaH2O: return SP3_HYBRID; break;
706  case hbe_dAMOaH2O: return SP3_HYBRID; break;
707  case hbe_dGDEaH2O: return SP3_HYBRID; break;
708  case hbe_dGDHaH2O: return SP3_HYBRID; break;
709  case hbe_dAHXaH2O: return SP3_HYBRID; break;
710  case hbe_dHXLaH2O: return SP3_HYBRID; break;
711  case hbe_dH2OaH2O: return SP3_HYBRID; break;
712  case hbe_GENERIC_SP2BB_SR: return SP2_HYBRID; break;
713  case hbe_GENERIC_SP2BB_LR: return SP2_HYBRID; break;
714  case hbe_GENERIC_SP3BB_SR: return SP3_HYBRID; break;
715  case hbe_GENERIC_SP3BB_LR: return SP3_HYBRID; break;
716  case hbe_GENERIC_RINGBB_SR: return RING_HYBRID; break;
717  case hbe_GENERIC_RINGBB_LR: return RING_HYBRID; break;
718  case hbe_GENERIC_SP2BSC_SR: return SP2_HYBRID; break;
719  case hbe_GENERIC_SP2BSC_LR: return SP2_HYBRID; break;
720  case hbe_GENERIC_SP3BSC_SR: return SP3_HYBRID; break;
721  case hbe_GENERIC_SP3BSC_LR: return SP3_HYBRID; break;
722  case hbe_GENERIC_RINGBSC_SR: return RING_HYBRID; break;
723  case hbe_GENERIC_RINGBSC_LR: return RING_HYBRID; break;
724  case hbe_GENERIC_SP2SCSC_SR: return SP2_HYBRID; break;
725  case hbe_GENERIC_SP2SCSC_LR: return SP2_HYBRID; break;
726  case hbe_GENERIC_SP3SCSC_SR: return SP3_HYBRID; break;
727  case hbe_GENERIC_SP3SCSC_LR: return SP3_HYBRID; break;
728  case hbe_GENERIC_RINGSCSC_SR: return RING_HYBRID; break;
729  case hbe_GENERIC_RINGSCSC_LR: return RING_HYBRID; break;
730  }
731  return UNKNOWN_HYBRID;
732 }
733 
734 
735 
736 ///////////////////////////////////////////////////////////
737 //:::DEPRICATION NOTICE::::
738 //
739 // Note backbone/sidechain identification is used
740 //1) packing: eg since the backbone is fixed, backbone-backbone, and
741 // backbone-sidechain interactions can be precomputed. This is found
742 // by looking at rsd.is_backbone()
743 //2) environmental dependence is only applied to side chains, (ask
744 //Tanja or Lin, because I don't know why)
745 //3) to take some account of variable correlation,
746 //sidechain-sidechain hbonds have two different angle potentials
747 //that depend on the AH distance so hbe_is_BB_type is used.
748 //
749 //
750 //Backbone/sidechain distinctions are tricky when one looks at
751 //modified-proteins or non-proteins. Since these functions are only
752 //used in questional circumstances they are depricated and will be
753 //removed in subsiquent versions of the hbond-potential.
754 //
755 //
756 
757 bool
758 hbe_is_BB_type( HBEvalType hbe )
759 {
760  switch(hbe){
761  case hbe_NONE: return false; break;
762  case hbe_dPBAaPBAsepM4helix: return true; break;
763  case hbe_dPBAaPBAsepM3turn: return true; break;
764  case hbe_dPBAaPBAsepM2turn: return true; break;
765  case hbe_dPBAaPBAsepPM1: return true; break;
766  case hbe_dPBAaPBAsepP2turn: return true; break;
767  case hbe_dPBAaPBAsepP3turn: return true; break;
768  case hbe_dPBAaPBAsepP4helix: return true; break;
769  case hbe_dPBAaPBAsepother: return true; break;
770  case hbe_dCXAaPBAsepPM1: return false; break;
771  case hbe_dIMDaPBAsepPM1: return false; break;
772  case hbe_dIMEaPBAsepPM1: return false; break;
773  case hbe_dINDaPBAsepPM1: return false; break;
774  case hbe_dAMOaPBAsepPM1: return false; break;
775  case hbe_dGDEaPBAsepPM1: return false; break;
776  case hbe_dGDHaPBAsepPM1: return false; break;
777  case hbe_dAHXaPBAsepPM1: return false; break;
778  case hbe_dHXLaPBAsepPM1: return false; break;
779  case hbe_dCXAaPBAsepother: return false; break;
780  case hbe_dIMDaPBAsepother: return false; break;
781  case hbe_dIMEaPBAsepother: return false; break;
782  case hbe_dINDaPBAsepother: return false; break;
783  case hbe_dAMOaPBAsepother: return false; break;
784  case hbe_dGDEaPBAsepother: return false; break;
785  case hbe_dGDHaPBAsepother: return false; break;
786  case hbe_dAHXaPBAsepother: return false; break;
787  case hbe_dHXLaPBAsepother: return false; break;
788  case hbe_dH2OaPBA: return false; break;
789  case hbe_dPBAaCXAsepPM1: return false; break;
790  case hbe_dPBAaCXAsepother: return false; break;
791  case hbe_dCXAaCXA: return false; break;
792  case hbe_dIMDaCXA: return false; break;
793  case hbe_dIMEaCXA: return false; break;
794  case hbe_dINDaCXA: return false; break;
795  case hbe_dAMOaCXA: return false; break;
796  case hbe_dGDEaCXA: return false; break;
797  case hbe_dGDHaCXA: return false; break;
798  case hbe_dAHXaCXA: return false; break;
799  case hbe_dHXLaCXA: return false; break;
800  case hbe_dH2OaCXA: return false; break;
801  case hbe_dPBAaCXLsepPM1: return false; break;
802  case hbe_dPBAaCXLsepother: return false; break;
803  case hbe_dCXAaCXL: return false; break;
804  case hbe_dIMDaCXL: return false; break;
805  case hbe_dIMEaCXL: return false; break;
806  case hbe_dINDaCXL: return false; break;
807  case hbe_dAMOaCXL: return false; break;
808  case hbe_dGDEaCXL: return false; break;
809  case hbe_dGDHaCXL: return false; break;
810  case hbe_dAHXaCXL: return false; break;
811  case hbe_dHXLaCXL: return false; break;
812  case hbe_dH2OaCXL: return false; break;
813  case hbe_dPBAaIMDsepPM1: return false; break;
814  case hbe_dPBAaIMDsepother: return false; break;
815  case hbe_dCXAaIMD: return false; break;
816  case hbe_dIMDaIMD: return false; break;
817  case hbe_dIMEaIMD: return false; break;
818  case hbe_dINDaIMD: return false; break;
819  case hbe_dAMOaIMD: return false; break;
820  case hbe_dGDEaIMD: return false; break;
821  case hbe_dGDHaIMD: return false; break;
822  case hbe_dAHXaIMD: return false; break;
823  case hbe_dHXLaIMD: return false; break;
824  case hbe_dH2OaIMD: return false; break;
825  case hbe_dPBAaIMEsepPM1: return false; break;
826  case hbe_dPBAaIMEsepother: return false; break;
827  case hbe_dCXAaIME: return false; break;
828  case hbe_dIMDaIME: return false; break;
829  case hbe_dIMEaIME: return false; break;
830  case hbe_dINDaIME: return false; break;
831  case hbe_dAMOaIME: return false; break;
832  case hbe_dGDEaIME: return false; break;
833  case hbe_dGDHaIME: return false; break;
834  case hbe_dAHXaIME: return false; break;
835  case hbe_dHXLaIME: return false; break;
836  case hbe_dH2OaIME: return false; break;
837  case hbe_dPBAaAHXsepPM1: return false; break;
838  case hbe_dPBAaAHXsepother: return false; break;
839  case hbe_dCXAaAHX: return false; break;
840  case hbe_dIMDaAHX: return false; break;
841  case hbe_dIMEaAHX: return false; break;
842  case hbe_dINDaAHX: return false; break;
843  case hbe_dAMOaAHX: return false; break;
844  case hbe_dGDEaAHX: return false; break;
845  case hbe_dGDHaAHX: return false; break;
846  case hbe_dAHXaAHX: return false; break;
847  case hbe_dHXLaAHX: return false; break;
848  case hbe_dH2OaAHX: return false; break;
849  case hbe_dPBAaHXLsepPM1: return false; break;
850  case hbe_dPBAaHXLsepother: return false; break;
851  case hbe_dCXAaHXL: return false; break;
852  case hbe_dIMDaHXL: return false; break;
853  case hbe_dIMEaHXL: return false; break;
854  case hbe_dINDaHXL: return false; break;
855  case hbe_dAMOaHXL: return false; break;
856  case hbe_dGDEaHXL: return false; break;
857  case hbe_dGDHaHXL: return false; break;
858  case hbe_dAHXaHXL: return false; break;
859  case hbe_dHXLaHXL: return false; break;
860  case hbe_dH2OaHXL: return false; break;
861  case hbe_dPBAaPCA_DNAsepPM1: return false; break;
862  case hbe_dPBAaPCA_DNAsepother: return false; break;
863  case hbe_dCXAaPCA_DNA: return false; break;
864  case hbe_dIMDaPCA_DNA: return false; break;
865  case hbe_dIMEaPCA_DNA: return false; break;
866  case hbe_dINDaPCA_DNA: return false; break;
867  case hbe_dAMOaPCA_DNA: return false; break;
868  case hbe_dGDEaPCA_DNA: return false; break;
869  case hbe_dGDHaPCA_DNA: return false; break;
870  case hbe_dAHXaPCA_DNA: return false; break;
871  case hbe_dHXLaPCA_DNA: return false; break;
872  case hbe_dH2OaPCA_DNA: return false; break;
873  case hbe_dPBAaPCA_RNAsepPM1: return true; break;
874  case hbe_dPBAaPCA_RNAsepother: return true; break;
875  case hbe_dCXAaPCA_RNAsepPM1: return false; break;
876  case hbe_dCXAaPCA_RNAsepother: return false; break;
877  case hbe_dIMDaPCA_RNAsepPM1: return false; break;
878  case hbe_dIMDaPCA_RNAsepother: return false; break;
879  case hbe_dIMEaPCA_RNAsepPM1: return false; break;
880  case hbe_dIMEaPCA_RNAsepother: return false; break;
881  case hbe_dINDaPCA_RNAsepPM1: return false; break;
882  case hbe_dINDaPCA_RNAsepother: return false; break;
883  case hbe_dAMOaPCA_RNAsepPM1: return false; break;
884  case hbe_dAMOaPCA_RNAsepother: return false; break;
885  case hbe_dGDEaPCA_RNAsepPM1: return false; break;
886  case hbe_dGDEaPCA_RNAsepother: return false; break;
887  case hbe_dGDHaPCA_RNAsepPM1: return false; break;
888  case hbe_dGDHaPCA_RNAsepother: return false; break;
889  case hbe_dAHXaPCA_RNAsepPM1: return false; break;
890  case hbe_dAHXaPCA_RNAsepother: return false; break;
891  case hbe_dHXLaPCA_RNAsepPM1: return false; break;
892  case hbe_dHXLaPCA_RNAsepother: return false; break;
893  case hbe_dH2OaPCA_RNA: return false; break;
894  case hbe_dPBAaPES_DNAsepPM1: return false; break;
895  case hbe_dPBAaPES_DNAsepother: return false; break;
896  case hbe_dCXAaPES_DNA: return false; break;
897  case hbe_dIMDaPES_DNA: return false; break;
898  case hbe_dIMEaPES_DNA: return false; break;
899  case hbe_dINDaPES_DNA: return false; break;
900  case hbe_dAMOaPES_DNA: return false; break;
901  case hbe_dGDEaPES_DNA: return false; break;
902  case hbe_dGDHaPES_DNA: return false; break;
903  case hbe_dAHXaPES_DNA: return false; break;
904  case hbe_dHXLaPES_DNA: return false; break;
905  case hbe_dH2OaPES_DNA: return false; break;
906  case hbe_dPBAaPES_RNAsepPM1: return true; break;
907  case hbe_dPBAaPES_RNAsepother: return true; break;
908  case hbe_dCXAaPES_RNAsepPM1: return false; break;
909  case hbe_dCXAaPES_RNAsepother: return false; break;
910  case hbe_dIMDaPES_RNAsepPM1: return false; break;
911  case hbe_dIMDaPES_RNAsepother: return false; break;
912  case hbe_dIMEaPES_RNAsepPM1: return false; break;
913  case hbe_dIMEaPES_RNAsepother: return false; break;
914  case hbe_dINDaPES_RNAsepPM1: return false; break;
915  case hbe_dINDaPES_RNAsepother: return false; break;
916  case hbe_dAMOaPES_RNAsepPM1: return false; break;
917  case hbe_dAMOaPES_RNAsepother: return false; break;
918  case hbe_dGDEaPES_RNAsepPM1: return false; break;
919  case hbe_dGDEaPES_RNAsepother: return false; break;
920  case hbe_dGDHaPES_RNAsepPM1: return false; break;
921  case hbe_dGDHaPES_RNAsepother: return false; break;
922  case hbe_dAHXaPES_RNAsepPM1: return false; break;
923  case hbe_dAHXaPES_RNAsepother: return false; break;
924  case hbe_dHXLaPES_RNAsepPM1: return false; break;
925  case hbe_dHXLaPES_RNAsepother: return false; break;
926  case hbe_dH2OaPES_RNA: return false; break;
927  case hbe_dPBAaRRI_DNAsepPM1: return false; break;
928  case hbe_dPBAaRRI_DNAsepother: return false; break;
929  case hbe_dCXAaRRI_DNA: return false; break;
930  case hbe_dIMDaRRI_DNA: return false; break;
931  case hbe_dIMEaRRI_DNA: return false; break;
932  case hbe_dINDaRRI_DNA: return false; break;
933  case hbe_dAMOaRRI_DNA: return false; break;
934  case hbe_dGDEaRRI_DNA: return false; break;
935  case hbe_dGDHaRRI_DNA: return false; break;
936  case hbe_dAHXaRRI_DNA: return false; break;
937  case hbe_dHXLaRRI_DNA: return false; break;
938  case hbe_dH2OaRRI_DNA: return false; break;
939  case hbe_dPBAaRRI_RNAsepPM1: return false; break;
940  case hbe_dPBAaRRI_RNAsepother: return false; break;
941  case hbe_dCXAaRRI_RNAsepPM1: return false; break;
942  case hbe_dCXAaRRI_RNAsepother: return false; break;
943  case hbe_dIMDaRRI_RNAsepPM1: return false; break;
944  case hbe_dIMDaRRI_RNAsepother: return false; break;
945  case hbe_dIMEaRRI_RNAsepPM1: return false; break;
946  case hbe_dIMEaRRI_RNAsepother: return false; break;
947  case hbe_dINDaRRI_RNAsepPM1: return false; break;
948  case hbe_dINDaRRI_RNAsepother: return false; break;
949  case hbe_dAMOaRRI_RNAsepPM1: return false; break;
950  case hbe_dAMOaRRI_RNAsepother: return false; break;
951  case hbe_dGDEaRRI_RNAsepPM1: return false; break;
952  case hbe_dGDEaRRI_RNAsepother: return false; break;
953  case hbe_dGDHaRRI_RNAsepPM1: return false; break;
954  case hbe_dGDHaRRI_RNAsepother: return false; break;
955  case hbe_dAHXaRRI_RNAsepPM1: return false; break;
956  case hbe_dAHXaRRI_RNAsepother: return false; break;
957  case hbe_dHXLaRRI_RNAsepPM1: return false; break;
958  case hbe_dHXLaRRI_RNAsepother: return false; break;
959  case hbe_dH2OaRRI_RNA: return false; break;
960  case hbe_dPBAaH2O: return false; break;
961  case hbe_dCXAaH2O: return false; break;
962  case hbe_dIMDaH2O: return false; break;
963  case hbe_dIMEaH2O: return false; break;
964  case hbe_dINDaH2O: return false; break;
965  case hbe_dAMOaH2O: return false; break;
966  case hbe_dGDEaH2O: return false; break;
967  case hbe_dGDHaH2O: return false; break;
968  case hbe_dAHXaH2O: return false; break;
969  case hbe_dHXLaH2O: return false; break;
970  case hbe_dH2OaH2O: return false; break;
971  case hbe_GENERIC_SP2BB_SR: return true; break;
972  case hbe_GENERIC_SP2BB_LR: return true; break;
973  case hbe_GENERIC_SP3BB_SR: return true; break;
974  case hbe_GENERIC_SP3BB_LR: return true; break;
975  case hbe_GENERIC_RINGBB_SR: return true; break;
976  case hbe_GENERIC_RINGBB_LR: return true; break;
977  case hbe_GENERIC_SP2BSC_SR: return false; break;
978  case hbe_GENERIC_SP2BSC_LR: return false; break;
979  case hbe_GENERIC_SP3BSC_SR: return false; break;
980  case hbe_GENERIC_SP3BSC_LR: return false; break;
981  case hbe_GENERIC_RINGBSC_SR: return false; break;
982  case hbe_GENERIC_RINGBSC_LR: return false; break;
983  case hbe_GENERIC_SP2SCSC_SR: return false; break;
984  case hbe_GENERIC_SP2SCSC_LR: return false; break;
985  case hbe_GENERIC_SP3SCSC_SR: return false; break;
986  case hbe_GENERIC_SP3SCSC_LR: return false; break;
987  case hbe_GENERIC_RINGSCSC_SR: return false; break;
988  case hbe_GENERIC_RINGSCSC_LR: return false; break;
989  }
990  return false; // <- to assure gcc a bool will be returned
991 }
992 bool hbe_is_SC_type( HBEvalType hbe ){return !hbe_is_BB_type(hbe);}
993 
994 
995 
996 HBondWeightType
997 get_hbond_weight_type( HBEvalType const & hbe_type )
998 {
999  switch(hbe_type){
1000  case hbe_NONE: return hbw_SR_BB; break;
1001  case hbe_dPBAaPBAsepM4helix: return hbw_SR_BB; break;
1002  case hbe_dPBAaPBAsepM3turn: return hbw_SR_BB; break;
1003  case hbe_dPBAaPBAsepM2turn: return hbw_SR_BB; break;
1004  case hbe_dPBAaPBAsepPM1: return hbw_SR_BB; break;
1005  case hbe_dPBAaPBAsepP2turn: return hbw_SR_BB; break;
1006  case hbe_dPBAaPBAsepP3turn: return hbw_SR_BB; break;
1007  case hbe_dPBAaPBAsepP4helix: return hbw_SR_BB; break;
1008  case hbe_dPBAaPBAsepother: return hbw_LR_BB; break;
1009  case hbe_dCXAaPBAsepPM1: return hbw_SR_BB_SC; break;
1010  case hbe_dIMDaPBAsepPM1: return hbw_SR_BB_SC; break;
1011  case hbe_dIMEaPBAsepPM1: return hbw_SR_BB_SC; break;
1012  case hbe_dINDaPBAsepPM1: return hbw_SR_BB_SC; break;
1013  case hbe_dAMOaPBAsepPM1: return hbw_SR_BB_SC; break;
1014  case hbe_dGDEaPBAsepPM1: return hbw_SR_BB_SC; break;
1015  case hbe_dGDHaPBAsepPM1: return hbw_SR_BB_SC; break;
1016  case hbe_dAHXaPBAsepPM1: return hbw_SR_BB_SC; break;
1017  case hbe_dHXLaPBAsepPM1: return hbw_SR_BB_SC; break;
1018  case hbe_dCXAaPBAsepother: return hbw_LR_BB_SC; break;
1019  case hbe_dIMDaPBAsepother: return hbw_LR_BB_SC; break;
1020  case hbe_dIMEaPBAsepother: return hbw_LR_BB_SC; break;
1021  case hbe_dINDaPBAsepother: return hbw_LR_BB_SC; break;
1022  case hbe_dAMOaPBAsepother: return hbw_LR_BB_SC; break;
1023  case hbe_dGDEaPBAsepother: return hbw_LR_BB_SC; break;
1024  case hbe_dGDHaPBAsepother: return hbw_LR_BB_SC; break;
1025  case hbe_dAHXaPBAsepother: return hbw_LR_BB_SC; break;
1026  case hbe_dHXLaPBAsepother: return hbw_LR_BB_SC; break;
1027  case hbe_dH2OaPBA: return hbw_LR_BB_SC; break;
1028  case hbe_dPBAaCXAsepPM1: return hbw_SR_BB_SC; break;
1029  case hbe_dPBAaCXAsepother: return hbw_LR_BB_SC; break;
1030  case hbe_dCXAaCXA: return hbw_SC; break;
1031  case hbe_dIMDaCXA: return hbw_SC; break;
1032  case hbe_dIMEaCXA: return hbw_SC; break;
1033  case hbe_dINDaCXA: return hbw_SC; break;
1034  case hbe_dAMOaCXA: return hbw_SC; break;
1035  case hbe_dGDEaCXA: return hbw_SC; break;
1036  case hbe_dGDHaCXA: return hbw_SC; break;
1037  case hbe_dAHXaCXA: return hbw_SC; break;
1038  case hbe_dHXLaCXA: return hbw_SC; break;
1039  case hbe_dH2OaCXA: return hbw_SC; break;
1040  case hbe_dPBAaCXLsepPM1: return hbw_SR_BB_SC; break;
1041  case hbe_dPBAaCXLsepother: return hbw_LR_BB_SC; break;
1042  case hbe_dCXAaCXL: return hbw_SC; break;
1043  case hbe_dIMDaCXL: return hbw_SC; break;
1044  case hbe_dIMEaCXL: return hbw_SC; break;
1045  case hbe_dINDaCXL: return hbw_SC; break;
1046  case hbe_dAMOaCXL: return hbw_SC; break;
1047  case hbe_dGDEaCXL: return hbw_SC; break;
1048  case hbe_dGDHaCXL: return hbw_SC; break;
1049  case hbe_dAHXaCXL: return hbw_SC; break;
1050  case hbe_dHXLaCXL: return hbw_SC; break;
1051  case hbe_dH2OaCXL: return hbw_SC; break;
1052  case hbe_dPBAaIMDsepPM1: return hbw_SR_BB_SC; break;
1053  case hbe_dPBAaIMDsepother: return hbw_LR_BB_SC; break;
1054  case hbe_dCXAaIMD: return hbw_SC; break;
1055  case hbe_dIMDaIMD: return hbw_SC; break;
1056  case hbe_dIMEaIMD: return hbw_SC; break;
1057  case hbe_dINDaIMD: return hbw_SC; break;
1058  case hbe_dAMOaIMD: return hbw_SC; break;
1059  case hbe_dGDEaIMD: return hbw_SC; break;
1060  case hbe_dGDHaIMD: return hbw_SC; break;
1061  case hbe_dAHXaIMD: return hbw_SC; break;
1062  case hbe_dHXLaIMD: return hbw_SC; break;
1063  case hbe_dH2OaIMD: return hbw_SC; break;
1064  case hbe_dPBAaIMEsepPM1: return hbw_SR_BB_SC; break;
1065  case hbe_dPBAaIMEsepother: return hbw_LR_BB_SC; break;
1066  case hbe_dCXAaIME: return hbw_SC; break;
1067  case hbe_dIMDaIME: return hbw_SC; break;
1068  case hbe_dIMEaIME: return hbw_SC; break;
1069  case hbe_dINDaIME: return hbw_SC; break;
1070  case hbe_dAMOaIME: return hbw_SC; break;
1071  case hbe_dGDEaIME: return hbw_SC; break;
1072  case hbe_dGDHaIME: return hbw_SC; break;
1073  case hbe_dAHXaIME: return hbw_SC; break;
1074  case hbe_dHXLaIME: return hbw_SC; break;
1075  case hbe_dH2OaIME: return hbw_SC; break;
1076  case hbe_dPBAaAHXsepPM1: return hbw_SR_BB_SC; break;
1077  case hbe_dPBAaAHXsepother: return hbw_LR_BB_SC; break;
1078  case hbe_dCXAaAHX: return hbw_SC; break;
1079  case hbe_dIMDaAHX: return hbw_SC; break;
1080  case hbe_dIMEaAHX: return hbw_SC; break;
1081  case hbe_dINDaAHX: return hbw_SC; break;
1082  case hbe_dAMOaAHX: return hbw_SC; break;
1083  case hbe_dGDEaAHX: return hbw_SC; break;
1084  case hbe_dGDHaAHX: return hbw_SC; break;
1085  case hbe_dAHXaAHX: return hbw_SC; break;
1086  case hbe_dHXLaAHX: return hbw_SC; break;
1087  case hbe_dH2OaAHX: return hbw_SC; break;
1088  case hbe_dPBAaHXLsepPM1: return hbw_SR_BB_SC; break;
1089  case hbe_dPBAaHXLsepother: return hbw_LR_BB_SC; break;
1090  case hbe_dCXAaHXL: return hbw_SC; break;
1091  case hbe_dIMDaHXL: return hbw_SC; break;
1092  case hbe_dIMEaHXL: return hbw_SC; break;
1093  case hbe_dINDaHXL: return hbw_SC; break;
1094  case hbe_dAMOaHXL: return hbw_SC; break;
1095  case hbe_dGDEaHXL: return hbw_SC; break;
1096  case hbe_dGDHaHXL: return hbw_SC; break;
1097  case hbe_dAHXaHXL: return hbw_SC; break;
1098  case hbe_dHXLaHXL: return hbw_SC; break;
1099  case hbe_dH2OaHXL: return hbw_SC; break;
1100  case hbe_dPBAaPCA_DNAsepPM1: return hbw_SR_BB_SC; break;
1101  case hbe_dPBAaPCA_DNAsepother: return hbw_LR_BB_SC; break;
1102  case hbe_dCXAaPCA_DNA: return hbw_SC; break;
1103  case hbe_dIMDaPCA_DNA: return hbw_SC; break;
1104  case hbe_dIMEaPCA_DNA: return hbw_SC; break;
1105  case hbe_dINDaPCA_DNA: return hbw_SC; break;
1106  case hbe_dAMOaPCA_DNA: return hbw_SC; break;
1107  case hbe_dGDEaPCA_DNA: return hbw_SC; break;
1108  case hbe_dGDHaPCA_DNA: return hbw_SC; break;
1109  case hbe_dAHXaPCA_DNA: return hbw_SC; break;
1110  case hbe_dHXLaPCA_DNA: return hbw_SC; break;
1111  case hbe_dH2OaPCA_DNA: return hbw_LR_BB_SC; break;
1112  case hbe_dPBAaPCA_RNAsepPM1: return hbw_SR_BB; break;
1113  case hbe_dPBAaPCA_RNAsepother: return hbw_LR_BB; break;
1114  case hbe_dCXAaPCA_RNAsepPM1: return hbw_SR_BB_SC; break;
1115  case hbe_dCXAaPCA_RNAsepother: return hbw_LR_BB_SC; break;
1116  case hbe_dIMDaPCA_RNAsepPM1: return hbw_SR_BB_SC; break;
1117  case hbe_dIMDaPCA_RNAsepother: return hbw_LR_BB_SC; break;
1118  case hbe_dIMEaPCA_RNAsepPM1: return hbw_SR_BB_SC; break;
1119  case hbe_dIMEaPCA_RNAsepother: return hbw_LR_BB_SC; break;
1120  case hbe_dINDaPCA_RNAsepPM1: return hbw_SR_BB_SC; break;
1121  case hbe_dINDaPCA_RNAsepother: return hbw_LR_BB_SC; break;
1122  case hbe_dAMOaPCA_RNAsepPM1: return hbw_SR_BB_SC; break;
1123  case hbe_dAMOaPCA_RNAsepother: return hbw_LR_BB_SC; break;
1124  case hbe_dGDEaPCA_RNAsepPM1: return hbw_SR_BB_SC; break;
1125  case hbe_dGDEaPCA_RNAsepother: return hbw_LR_BB_SC; break;
1126  case hbe_dGDHaPCA_RNAsepPM1: return hbw_SR_BB_SC; break;
1127  case hbe_dGDHaPCA_RNAsepother: return hbw_LR_BB_SC; break;
1128  case hbe_dAHXaPCA_RNAsepPM1: return hbw_SR_BB_SC; break;
1129  case hbe_dAHXaPCA_RNAsepother: return hbw_LR_BB_SC; break;
1130  case hbe_dHXLaPCA_RNAsepPM1: return hbw_SR_BB_SC; break;
1131  case hbe_dHXLaPCA_RNAsepother: return hbw_LR_BB_SC; break;
1132  case hbe_dH2OaPCA_RNA: return hbw_LR_BB_SC; break;
1133  case hbe_dPBAaPES_DNAsepPM1: return hbw_SR_BB_SC; break;
1134  case hbe_dPBAaPES_DNAsepother: return hbw_LR_BB_SC; break;
1135  case hbe_dCXAaPES_DNA: return hbw_SC; break;
1136  case hbe_dIMDaPES_DNA: return hbw_SC; break;
1137  case hbe_dIMEaPES_DNA: return hbw_SC; break;
1138  case hbe_dINDaPES_DNA: return hbw_SC; break;
1139  case hbe_dAMOaPES_DNA: return hbw_SC; break;
1140  case hbe_dGDEaPES_DNA: return hbw_SC; break;
1141  case hbe_dGDHaPES_DNA: return hbw_SC; break;
1142  case hbe_dAHXaPES_DNA: return hbw_SC; break;
1143  case hbe_dHXLaPES_DNA: return hbw_SC; break;
1144  case hbe_dH2OaPES_DNA: return hbw_LR_BB_SC; break;
1145  case hbe_dPBAaPES_RNAsepPM1: return hbw_SR_BB; break;
1146  case hbe_dPBAaPES_RNAsepother: return hbw_LR_BB; break;
1147  case hbe_dCXAaPES_RNAsepPM1: return hbw_SR_BB_SC; break;
1148  case hbe_dCXAaPES_RNAsepother: return hbw_LR_BB_SC; break;
1149  case hbe_dIMDaPES_RNAsepPM1: return hbw_SR_BB_SC; break;
1150  case hbe_dIMDaPES_RNAsepother: return hbw_LR_BB_SC; break;
1151  case hbe_dIMEaPES_RNAsepPM1: return hbw_SR_BB_SC; break;
1152  case hbe_dIMEaPES_RNAsepother: return hbw_LR_BB_SC; break;
1153  case hbe_dINDaPES_RNAsepPM1: return hbw_SR_BB_SC; break;
1154  case hbe_dINDaPES_RNAsepother: return hbw_LR_BB_SC; break;
1155  case hbe_dAMOaPES_RNAsepPM1: return hbw_SR_BB_SC; break;
1156  case hbe_dAMOaPES_RNAsepother: return hbw_LR_BB_SC; break;
1157  case hbe_dGDEaPES_RNAsepPM1: return hbw_SR_BB_SC; break;
1158  case hbe_dGDEaPES_RNAsepother: return hbw_LR_BB_SC; break;
1159  case hbe_dGDHaPES_RNAsepPM1: return hbw_SR_BB_SC; break;
1160  case hbe_dGDHaPES_RNAsepother: return hbw_LR_BB_SC; break;
1161  case hbe_dAHXaPES_RNAsepPM1: return hbw_SR_BB_SC; break;
1162  case hbe_dAHXaPES_RNAsepother: return hbw_LR_BB_SC; break;
1163  case hbe_dHXLaPES_RNAsepPM1: return hbw_SR_BB_SC; break;
1164  case hbe_dHXLaPES_RNAsepother: return hbw_LR_BB_SC; break;
1165  case hbe_dH2OaPES_RNA: return hbw_LR_BB_SC; break;
1166  case hbe_dPBAaRRI_DNAsepPM1: return hbw_SR_BB_SC; break;
1167  case hbe_dPBAaRRI_DNAsepother: return hbw_LR_BB_SC; break;
1168  case hbe_dCXAaRRI_DNA: return hbw_SC; break;
1169  case hbe_dIMDaRRI_DNA: return hbw_SC; break;
1170  case hbe_dIMEaRRI_DNA: return hbw_SC; break;
1171  case hbe_dINDaRRI_DNA: return hbw_SC; break;
1172  case hbe_dAMOaRRI_DNA: return hbw_SC; break;
1173  case hbe_dGDEaRRI_DNA: return hbw_SC; break;
1174  case hbe_dGDHaRRI_DNA: return hbw_SC; break;
1175  case hbe_dAHXaRRI_DNA: return hbw_SC; break;
1176  case hbe_dHXLaRRI_DNA: return hbw_SC; break;
1177  case hbe_dH2OaRRI_DNA: return hbw_LR_BB_SC; break;
1178  case hbe_dPBAaRRI_RNAsepPM1: return hbw_SR_BB; break;
1179  case hbe_dPBAaRRI_RNAsepother: return hbw_LR_BB; break;
1180  case hbe_dCXAaRRI_RNAsepPM1: return hbw_SR_BB_SC; break;
1181  case hbe_dCXAaRRI_RNAsepother: return hbw_LR_BB_SC; break;
1182  case hbe_dIMDaRRI_RNAsepPM1: return hbw_SR_BB_SC; break;
1183  case hbe_dIMDaRRI_RNAsepother: return hbw_LR_BB_SC; break;
1184  case hbe_dIMEaRRI_RNAsepPM1: return hbw_SR_BB_SC; break;
1185  case hbe_dIMEaRRI_RNAsepother: return hbw_LR_BB_SC; break;
1186  case hbe_dINDaRRI_RNAsepPM1: return hbw_SR_BB_SC; break;
1187  case hbe_dINDaRRI_RNAsepother: return hbw_LR_BB_SC; break;
1188  case hbe_dAMOaRRI_RNAsepPM1: return hbw_SR_BB_SC; break;
1189  case hbe_dAMOaRRI_RNAsepother: return hbw_LR_BB_SC; break;
1190  case hbe_dGDEaRRI_RNAsepPM1: return hbw_SR_BB_SC; break;
1191  case hbe_dGDEaRRI_RNAsepother: return hbw_LR_BB_SC; break;
1192  case hbe_dGDHaRRI_RNAsepPM1: return hbw_SR_BB_SC; break;
1193  case hbe_dGDHaRRI_RNAsepother: return hbw_LR_BB_SC; break;
1194  case hbe_dAHXaRRI_RNAsepPM1: return hbw_SR_BB_SC; break;
1195  case hbe_dAHXaRRI_RNAsepother: return hbw_LR_BB_SC; break;
1196  case hbe_dHXLaRRI_RNAsepPM1: return hbw_SR_BB_SC; break;
1197  case hbe_dHXLaRRI_RNAsepother: return hbw_LR_BB_SC; break;
1198  case hbe_dH2OaRRI_RNA: return hbw_LR_BB_SC; break;
1199  case hbe_dPBAaH2O: return hbw_LR_BB_SC; break;
1200  case hbe_dCXAaH2O: return hbw_SC; break;
1201  case hbe_dIMDaH2O: return hbw_SC; break;
1202  case hbe_dIMEaH2O: return hbw_SC; break;
1203  case hbe_dINDaH2O: return hbw_SC; break;
1204  case hbe_dAMOaH2O: return hbw_SC; break;
1205  case hbe_dGDEaH2O: return hbw_SC; break;
1206  case hbe_dGDHaH2O: return hbw_SC; break;
1207  case hbe_dAHXaH2O: return hbw_SC; break;
1208  case hbe_dHXLaH2O: return hbw_SC; break;
1209  case hbe_dH2OaH2O: return hbw_SC; break;
1210  case hbe_GENERIC_SP2BB_SR: return hbw_SR_BB; break;
1211  case hbe_GENERIC_SP2BB_LR: return hbw_LR_BB; break;
1212  case hbe_GENERIC_SP3BB_SR: return hbw_SR_BB; break;
1213  case hbe_GENERIC_SP3BB_LR: return hbw_LR_BB; break;
1214  case hbe_GENERIC_RINGBB_SR: return hbw_SR_BB; break;
1215  case hbe_GENERIC_RINGBB_LR: return hbw_LR_BB; break;
1216  case hbe_GENERIC_SP2BSC_SR: return hbw_SR_BB_SC; break;
1217  case hbe_GENERIC_SP2BSC_LR: return hbw_LR_BB_SC; break;
1218  case hbe_GENERIC_SP3BSC_SR: return hbw_SR_BB_SC; break;
1219  case hbe_GENERIC_SP3BSC_LR: return hbw_LR_BB_SC; break;
1220  case hbe_GENERIC_RINGBSC_SR: return hbw_SR_BB_SC; break;
1221  case hbe_GENERIC_RINGBSC_LR: return hbw_LR_BB_SC; break;
1222  case hbe_GENERIC_SP2SCSC_SR: return hbw_SC; break;
1223  case hbe_GENERIC_SP2SCSC_LR: return hbw_SC; break;
1224  case hbe_GENERIC_SP3SCSC_SR: return hbw_SC; break;
1225  case hbe_GENERIC_SP3SCSC_LR: return hbw_SC; break;
1226  case hbe_GENERIC_RINGSCSC_SR: return hbw_SC; break;
1227  case hbe_GENERIC_RINGSCSC_LR: return hbw_SC; break;
1228  }
1229  return hbw_NONE; // <- to assure gcc an HBondWeightType is returned
1230 }
1231 
1232 } // hbonds
1233 } // scoring
1234 } // core
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