Biomol/ControlParameterFunctions.hpp File Reference

Declaration of convenience functions for control-parameter handling. More...

#include "CDPL/Biomol/APIPrefix.hpp"
#include "CDPL/Biomol/ResidueDictionary.hpp"
#include "CDPL/Biomol/MMCIFDataProcessingFunction.hpp"

Go to the source code of this file.

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Base
	Contains core framework classes and functions.
	CDPL::Biomol
	Contains classes and functions related to biological macromolecules.

Functions
CDPL_BIOMOL_API bool	CDPL::Biomol::getStrictErrorCheckingParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setStrictErrorCheckingParameter (Base::ControlParameterContainer &cntnr, bool strict)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasStrictErrorCheckingParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearStrictErrorCheckingParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getCheckLineLengthParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setCheckLineLengthParameter (Base::ControlParameterContainer &cntnr, bool check)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasCheckLineLengthParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearCheckLineLengthParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API const ResidueDictionary::SharedPointer &	CDPL::Biomol::getResidueDictionaryParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setResidueDictionaryParameter (Base::ControlParameterContainer &cntnr, const ResidueDictionary::SharedPointer &dict)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasResidueDictionaryParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearResidueDictionaryParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getApplyDictFormalChargesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setApplyDictFormalChargesParameter (Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasApplyDictFormalChargesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearApplyDictFormalChargesParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getApplyDictAtomTypesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setApplyDictAtomTypesParameter (Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasApplyDictAtomTypesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearApplyDictAtomTypesParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getCalcMissingFormalChargesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setCalcMissingFormalChargesParameter (Base::ControlParameterContainer &cntnr, bool calc)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasCalcMissingFormalChargesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearCalcMissingFormalChargesParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPerceiveMissingBondOrdersParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPerceiveMissingBondOrdersParameter (Base::ControlParameterContainer &cntnr, bool perceive)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPerceiveMissingBondOrdersParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPerceiveMissingBondOrdersParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getCombineInterferingResidueCoordinatesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setCombineInterferingResidueCoordinatesParameter (Base::ControlParameterContainer &cntnr, bool comb)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasCombineInterferingResidueCoordinatesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearCombineInterferingResidueCoordinatesParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBApplyDictAtomBondingToStdResiduesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBApplyDictAtomBondingToStdResiduesParameter (Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBApplyDictAtomBondingToStdResiduesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBApplyDictAtomBondingToStdResiduesParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBApplyDictAtomBondingToNonStdResiduesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBApplyDictAtomBondingToNonStdResiduesParameter (Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBApplyDictAtomBondingToNonStdResiduesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBApplyDictAtomBondingToNonStdResiduesParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBApplyDictBondOrdersToStdResiduesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBApplyDictBondOrdersToStdResiduesParameter (Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBApplyDictBondOrdersToStdResiduesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBApplyDictBondOrdersToStdResiduesParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBApplyDictBondOrdersToNonStdResiduesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBApplyDictBondOrdersToNonStdResiduesParameter (Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBApplyDictBondOrdersToNonStdResiduesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBApplyDictBondOrdersToNonStdResiduesParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBIgnoreConectRecordsParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBIgnoreConectRecordsParameter (Base::ControlParameterContainer &cntnr, bool ignore)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBIgnoreConectRecordsParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBIgnoreConectRecordsParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBDeduceBondOrdersFromCONECTRecordsParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBDeduceBondOrdersFromCONECTRecordsParameter (Base::ControlParameterContainer &cntnr, bool deduce)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBDeduceBondOrdersFromCONECTRecordsParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBDeduceBondOrdersFromCONECTRecordsParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBIgnoreFormalChargeFieldParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBIgnoreFormalChargeFieldParameter (Base::ControlParameterContainer &cntnr, bool ignore)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBIgnoreFormalChargeFieldParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBIgnoreFormalChargeFieldParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBEvaluateMASTERRecordParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBEvaluateMASTERRecordParameter (Base::ControlParameterContainer &cntnr, bool eval)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBEvaluateMASTERRecordParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBEvaluateMASTERRecordParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBTruncateLinesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBTruncateLinesParameter (Base::ControlParameterContainer &cntnr, bool trunc)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBTruncateLinesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBTruncateLinesParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBWriteFormalChargesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBWriteFormalChargesParameter (Base::ControlParameterContainer &cntnr, bool write)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBWriteFormalChargesParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBWriteFormalChargesParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBWriteCONECTRecordsParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBWriteCONECTRecordsParameter (Base::ControlParameterContainer &cntnr, bool write)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBWriteCONECTRecordsParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBWriteCONECTRecordsParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBWriteCONECTRecordsForAllBondsParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBWriteCONECTRecordsForAllBondsParameter (Base::ControlParameterContainer &cntnr, bool write)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBWriteCONECTRecordsForAllBondsParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBWriteCONECTRecordsForAllBondsParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getPDBWriteCONECTRecordsReflectingBondOrderParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBWriteCONECTRecordsReflectingBondOrderParameter (Base::ControlParameterContainer &cntnr, bool write)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBWriteCONECTRecordsReflectingBondOrderParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBWriteCONECTRecordsReflectingBondOrderParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API unsigned int	CDPL::Biomol::getPDBFormatVersionParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setPDBFormatVersionParameter (Base::ControlParameterContainer &cntnr, unsigned int ver)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasPDBFormatVersionParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearPDBFormatVersionParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getMMCIFApplyDictAtomBondingParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setMMCIFApplyDictAtomBondingParameter (Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasMMCIFApplyDictAtomBondingParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearMMCIFApplyDictAtomBondingParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getMMCIFApplyDictBondOrdersParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setMMCIFApplyDictBondOrdersParameter (Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasMMCIFApplyDictBondOrdersParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearMMCIFApplyDictBondOrdersParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool	CDPL::Biomol::getMMCIFOutputBiopolymersAsChemCompParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setMMCIFOutputBiopolymersAsChemCompParameter (Base::ControlParameterContainer &cntnr, bool output)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasMMCIFOutputBiopolymersAsChemCompParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearMMCIFOutputBiopolymersAsChemCompParameter (Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API const MMCIFDataProcessingFunction &	CDPL::Biomol::getMMCIFOutputDataPostprocFunctionParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::setMMCIFOutputDataPostprocFunctionParameter (Base::ControlParameterContainer &cntnr, const MMCIFDataProcessingFunction &func)
CDPL_BIOMOL_API bool	CDPL::Biomol::hasMMCIFOutputDataPostprocFunctionParameter (const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void	CDPL::Biomol::clearMMCIFOutputDataPostprocFunctionParameter (Base::ControlParameterContainer &cntnr)

Detailed Description

Declaration of convenience functions for control-parameter handling.