Generate PatchOperations from patchfile lines. More...

#include <core/chemical/PatchOperationFactory.hh>
#include <core/chemical/PatchOperation.hh>
#include <utility/exit.hh>
#include <numeric/conversions.hh>
#include <basic/Tracer.hh>
#include <ObjexxFCL/string.functions.hh>

Classes
class	core::chemical::AddAtomCreator

class	core::chemical::DeleteAtomCreator

class	core::chemical::AddAtomAliasCreator

class	core::chemical::SetBackboneHeavyatomCreator

class	core::chemical::SetDisulfideAtomNameCreator

class	core::chemical::SetAACreator

class	core::chemical::SetBaseNameCreator

class	core::chemical::SetIOStringCreator

class	core::chemical::SetInterchangeabilityGroupCreator

class	core::chemical::NbrAtomCreator

class	core::chemical::NbrRadiusCreator

class	core::chemical::AddPropertyCreator

class	core::chemical::DeletePropertyCreator

class	core::chemical::DeleteVariantTypeCreator

class	core::chemical::AddChiCreator

class	core::chemical::AddProtonChiCreator

class	core::chemical::RedefineChiCreator

class	core::chemical::DeleteTerminalChiCreator

class	core::chemical::DeleteMetalBindingAtomCreator

class	core::chemical::DeleteActCoordAtomCreator

class	core::chemical::AddChiRotamerCreator

class	core::chemical::ClearChiRotamersCreator

class	core::chemical::AddBondCreator

class	core::chemical::AddBondTypeCreator

class	core::chemical::ChangeBondTypeCreator

class	core::chemical::AddConnectCreator

class	core::chemical::SetAtomTypeCreator

class	core::chemical::SetMMAtomTypeCreator

class	core::chemical::SetFormalChargeCreator

class	core::chemical::SetNetFormalChargeCreator

class	core::chemical::SetAtomicChargeCreator

class	core::chemical::SetPolymerConnectCreator

class	core::chemical::SetICOORCreator

class	core::chemical::SetAncestorCreator

class	core::chemical::ResetBondLengthCreator

class	core::chemical::PrependMainchainAtomCreator

class	core::chemical::AppendMainchainAtomCreator

class	core::chemical::ReplaceMainchainAtomCreator

class	core::chemical::RamaPreproFilenameCreator

class	core::chemical::RamaPreproResnameCreator

class	core::chemical::RemoveRotamerSpecificationsCreator

class	core::chemical::NCAARotlibPathCreator

class	core::chemical::NCAARotlibBBTorsionsCreator

class	core::chemical::NCAARotlibNumRotamerBinsCreator

class	core::chemical::SetNbrAtomCreator

class	core::chemical::SetNbrRadiusCreator

class	core::chemical::SetOrientAtomCreator

class	core::chemical::SetAllAtomsRepulsiveCreator

class	core::chemical::ConnectSulfurAndMakeVirtualProtonCreator

class	core::chemical::ReplaceProtonWithChlorineCreator

class	core::chemical::ReplaceProtonWithFluorineCreator

class	core::chemical::ReplaceProtonWithBromineCreator

class	core::chemical::ReplaceProtonWithIodineCreator

class	core::chemical::ReplaceProtonWithMethylCreator

class	core::chemical::ReplaceProtonWithTrifluoromethylCreator

class	core::chemical::ReplaceProtonWithHydroxylCreator

class	core::chemical::ReplaceProtonWithMethoxyCreator

class	core::chemical::ReplaceProtonWithEthylCreator

class	core::chemical::AddConnectAndDeleteChildProtonCreator

class	core::chemical::DeleteChildProtonCreator

class	core::chemical::AddConnectAndTrackingVirtCreator

class	core::chemical::ChiralFlipNamingCreator

class	core::chemical::ChiralFlipAtomsCreator

class	core::chemical::VirtualizeSidechainCreator

class	core::chemical::VirtualizeAllCreator

class	core::chemical::SetVirtualShadowCreator

class	core::chemical::RenameAtomCreator

Namespaces
	core
	A class for reading in the atom type properties.

	core::chemical

Functions
static basic::Tracer	core::chemical::TR ("core.chemical.PatchOperationFactory")

Variables
static PatchOperationRegistrator< AddAtomCreator >	core::chemical::reg_AddAtomCreator

static PatchOperationRegistrator< DeleteAtomCreator >	core::chemical::reg_DeleteAtomCreator

static PatchOperationRegistrator< AddAtomAliasCreator >	core::chemical::reg_AddAtomAliasCreator

static PatchOperationRegistrator< SetBackboneHeavyatomCreator >	core::chemical::reg_SetBackboneHeavyatomCreator

static PatchOperationRegistrator< SetDisulfideAtomNameCreator >	core::chemical::reg_SetDisulfideAtomNameCreator

static PatchOperationRegistrator< SetAACreator >	core::chemical::reg_SetAACreator

static PatchOperationRegistrator< SetBaseNameCreator >	core::chemical::reg_SetBaseNameCreator

static PatchOperationRegistrator< SetIOStringCreator >	core::chemical::reg_SetIOStringCreator

static PatchOperationRegistrator< SetInterchangeabilityGroupCreator >	core::chemical::reg_SetInterchangeabilityGroupCreator

static PatchOperationRegistrator< NbrAtomCreator >	core::chemical::reg_NbrAtomCreator

static PatchOperationRegistrator< NbrRadiusCreator >	core::chemical::reg_NbrRadiusCreator

static PatchOperationRegistrator< AddPropertyCreator >	core::chemical::reg_AddPropertyCreator

static PatchOperationRegistrator< DeletePropertyCreator >	core::chemical::reg_DeletePropertyCreator

static PatchOperationRegistrator< DeleteVariantTypeCreator >	core::chemical::reg_DeleteVariantTypeCreator

static PatchOperationRegistrator< AddChiCreator >	core::chemical::reg_AddChiCreator

static PatchOperationRegistrator< AddProtonChiCreator >	core::chemical::reg_AddProtonChiCreator

static PatchOperationRegistrator< RedefineChiCreator >	core::chemical::reg_RedefineChiCreator

static PatchOperationRegistrator< DeleteTerminalChiCreator >	core::chemical::reg_DeleteTerminalChiCreator

static PatchOperationRegistrator< DeleteMetalBindingAtomCreator >	core::chemical::reg_DeleteMetalBindingAtomCreator

static PatchOperationRegistrator< DeleteActCoordAtomCreator >	core::chemical::reg_DeleteActCoordAtomCreator

static PatchOperationRegistrator< AddChiRotamerCreator >	core::chemical::reg_AddChiRotamerCreator

static PatchOperationRegistrator< ClearChiRotamersCreator >	core::chemical::reg_ClearChiRotamersCreator

static PatchOperationRegistrator< AddBondCreator >	core::chemical::reg_AddBondCreator

static PatchOperationRegistrator< AddBondTypeCreator >	core::chemical::reg_AddBondTypeCreator

static PatchOperationRegistrator< ChangeBondTypeCreator >	core::chemical::reg_ChangeBondTypeCreator

static PatchOperationRegistrator< AddConnectCreator >	core::chemical::reg_AddConnectCreator

static PatchOperationRegistrator< SetAtomTypeCreator >	core::chemical::reg_SetAtomTypeCreator

static PatchOperationRegistrator< SetMMAtomTypeCreator >	core::chemical::reg_SetMMAtomTypeCreator

static PatchOperationRegistrator< SetFormalChargeCreator >	core::chemical::reg_SetFormalChargeCreator

static PatchOperationRegistrator< SetNetFormalChargeCreator >	core::chemical::reg_SetNetFormalChargeCreator

static PatchOperationRegistrator< SetAtomicChargeCreator >	core::chemical::reg_SetAtomicChargeCreator

static PatchOperationRegistrator< SetPolymerConnectCreator >	core::chemical::reg_SetPolymerConnectCreator

static PatchOperationRegistrator< SetICOORCreator >	core::chemical::reg_SetICOORCreator

static PatchOperationRegistrator< SetAncestorCreator >	core::chemical::reg_SetAncestorCreator

static PatchOperationRegistrator< ResetBondLengthCreator >	core::chemical::reg_ResetBondLengthCreator

static PatchOperationRegistrator< PrependMainchainAtomCreator >	core::chemical::reg_PrependMainchainAtomCreator

static PatchOperationRegistrator< AppendMainchainAtomCreator >	core::chemical::reg_AppendMainchainAtomCreator

static PatchOperationRegistrator< ReplaceMainchainAtomCreator >	core::chemical::reg_ReplaceMainchainAtomCreator

static PatchOperationRegistrator< RamaPreproFilenameCreator >	core::chemical::reg_RamaPreproFilenameCreator

static PatchOperationRegistrator< RamaPreproResnameCreator >	core::chemical::reg_RamaPreproResnameCreator

static PatchOperationRegistrator< RemoveRotamerSpecificationsCreator >	core::chemical::reg_RemoveRotamerSpecificationsCreator

static PatchOperationRegistrator< NCAARotlibPathCreator >	core::chemical::reg_NCAARotlibPathCreator

static PatchOperationRegistrator< NCAARotlibBBTorsionsCreator >	core::chemical::reg_NCAARotlibBBTorsionsCreator

static PatchOperationRegistrator< NCAARotlibNumRotamerBinsCreator >	core::chemical::reg_NCAARotlibNumRotamerBinsCreator

static PatchOperationRegistrator< SetNbrAtomCreator >	core::chemical::reg_SetNbrAtomCreator

static PatchOperationRegistrator< SetNbrRadiusCreator >	core::chemical::reg_SetNbrRadiusCreator

static PatchOperationRegistrator< SetOrientAtomCreator >	core::chemical::reg_SetOrientAtomCreator

static PatchOperationRegistrator< SetAllAtomsRepulsiveCreator >	core::chemical::reg_SetAllAtomsRepulsiveCreator

static PatchOperationRegistrator< ConnectSulfurAndMakeVirtualProtonCreator >	core::chemical::reg_ConnectSulfurAndMakeVirtualProtonCreator

static PatchOperationRegistrator< ReplaceProtonWithChlorineCreator >	core::chemical::reg_ReplaceProtonWithChlorineCreator

static PatchOperationRegistrator< ReplaceProtonWithFluorineCreator >	core::chemical::reg_ReplaceProtonWithFluorineCreator

static PatchOperationRegistrator< ReplaceProtonWithBromineCreator >	core::chemical::reg_ReplaceProtonWithBromineCreator

static PatchOperationRegistrator< ReplaceProtonWithIodineCreator >	core::chemical::reg_ReplaceProtonWithIodineCreator

static PatchOperationRegistrator< ReplaceProtonWithMethylCreator >	core::chemical::reg_ReplaceProtonWithMethylCreator

static PatchOperationRegistrator< ReplaceProtonWithTrifluoromethylCreator >	core::chemical::reg_ReplaceProtonWithTrifluoromethylCreator

static PatchOperationRegistrator< ReplaceProtonWithHydroxylCreator >	core::chemical::reg_ReplaceProtonWithHydroxylCreator

static PatchOperationRegistrator< ReplaceProtonWithMethoxyCreator >	core::chemical::reg_ReplaceProtonWithMethoxyCreator

static PatchOperationRegistrator< ReplaceProtonWithEthylCreator >	core::chemical::reg_ReplaceProtonWithEthylCreator

static PatchOperationRegistrator< AddConnectAndDeleteChildProtonCreator >	core::chemical::reg_AddConnectAndDeleteChildProtonCreator

static PatchOperationRegistrator< DeleteChildProtonCreator >	core::chemical::reg_DeleteChildProtonCreator

static PatchOperationRegistrator< AddConnectAndTrackingVirtCreator >	core::chemical::reg_AddConnectAndTrackingVirtCreator

static PatchOperationRegistrator< ChiralFlipNamingCreator >	core::chemical::reg_ChiralFlipNamingCreator

static PatchOperationRegistrator< ChiralFlipAtomsCreator >	core::chemical::reg_ChiralFlipAtomsCreator

static PatchOperationRegistrator< VirtualizeSidechainCreator >	core::chemical::reg_VirtualizeSidechainCreator

static PatchOperationRegistrator< VirtualizeAllCreator >	core::chemical::reg_VirtualizeAllCreator

static PatchOperationRegistrator< SetVirtualShadowCreator >	core::chemical::reg_SetVirtualShadowCreator

static PatchOperationRegistrator< RenameAtomCreator >	core::chemical::reg_RenameAtomCreator

Detailed Description

Generate PatchOperations from patchfile lines.

Author: Rocco Moretti (rmore.nosp@m.ttia.nosp@m.se@gm.nosp@m.ail..nosp@m.com)

Classes

Namespaces

Functions

Variables

Detailed Description