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CSDAtomType.hh
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1 // -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
2 // vi: set ts=2 noet:
3 //
4 // (c) Copyright Rosetta Commons Member Institutions.
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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
11 /// @author Ian W. Davis
12 
13 
14 #ifndef INCLUDED_core_chemical_CSDAtomType_hh
15 #define INCLUDED_core_chemical_CSDAtomType_hh
16 
17 
18 // C++ headers
19 #include <string>
20 
21 namespace core {
22 namespace chemical {
23 
24 /// @brief Basic "conformational" atom type derived from analysis of Cambridge Structure Database.
25 class CSDAtomType {
26 
27 public:
28 
29  /// @brief Construct a new CSDAtomType with its name
30  CSDAtomType( std::string const & name_in):
31  name_( name_in )
32  {}
33 
34  /// @brief Return the name of the CSDAtomType
35  std::string const& name() const { return name_; };
36 
37  // data
38 private:
39 
40  /// name
41  std::string const name_;
42 };
43 
44 
45 } // chemical
46 } // core
47 
48 
49 
50 #endif // INCLUDED_core_chemical_CSDAtomType_HH