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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_BIOMOL_CONTROLPARAMETERFUNCTIONS_HPP
30 #define CDPL_BIOMOL_CONTROLPARAMETERFUNCTIONS_HPP
42 class ControlParameterContainer;
247 #endif // CDPL_BIOMOL_CONTROLPARAMETERFUNCTIONS_HPP
CDPL_BIOMOL_API void clearPDBEvaluateMASTERRecordParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBEvaluateMASTERRecordParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API unsigned int getPDBFormatVersionParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearPDBWriteFormalChargesParameter(Base::ControlParameterContainer &cntnr)
A class providing methods for the storage and lookup of control-parameter values.
Definition: ControlParameterContainer.hpp:93
CDPL_BIOMOL_API bool hasPDBPerceiveMissingBondOrdersParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setCheckLineLengthParameter(Base::ControlParameterContainer &cntnr, bool check)
CDPL_BIOMOL_API bool hasPDBIgnoreConectRecordsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBCalcMissingFormalChargesParameter(Base::ControlParameterContainer &cntnr, bool calc)
CDPL_BIOMOL_API bool hasCombineInterferingResidueCoordinatesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBApplyDictAtomBondingToNonStdResiduesParameter(Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API void setPDBWriteCONECTRecordsForAllBondsParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_BIOMOL_API void setPDBTruncateLinesParameter(Base::ControlParameterContainer &cntnr, bool trunc)
CDPL_BIOMOL_API void setPDBFormatVersionParameter(Base::ControlParameterContainer &cntnr, unsigned int ver)
CDPL_BIOMOL_API bool getCheckLineLengthParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearPDBIgnoreConectRecordsParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBIgnoreFormalChargeFieldParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBEvaluateMASTERRecordParameter(Base::ControlParameterContainer &cntnr, bool eval)
CDPL_BIOMOL_API void clearPDBFormatVersionParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBDeduceBondOrdersFromCONECTRecordsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearPDBApplyDictAtomTypesParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBWriteCONECTRecordsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBCalcMissingFormalChargesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBApplyDictAtomTypesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBApplyDictBondOrdersToNonStdResiduesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBFormatVersionParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearPDBWriteCONECTRecordsReflectingBondOrderParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBWriteFormalChargesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBWriteCONECTRecordsForAllBondsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasStrictErrorCheckingParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBApplyDictAtomBondingToStdResiduesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBIgnoreFormalChargeFieldParameter(Base::ControlParameterContainer &cntnr, bool ignore)
CDPL_BIOMOL_API void setPDBApplyDictAtomBondingToStdResiduesParameter(Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API void setPDBPerceiveMissingBondOrdersParameter(Base::ControlParameterContainer &cntnr, bool perceive)
CDPL_BIOMOL_API void clearPDBIgnoreFormalChargeFieldParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBPerceiveMissingBondOrdersParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearPDBWriteCONECTRecordsParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearPDBApplyDictFormalAtomChargesParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBResidueDictionaryParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBApplyDictFormalAtomChargesParameter(Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API bool getCombineInterferingResidueCoordinatesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBCalcMissingFormalChargesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBIgnoreFormalChargeFieldParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBApplyDictBondOrdersToStdResiduesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBWriteCONECTRecordsForAllBondsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBApplyDictAtomBondingToNonStdResiduesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBEvaluateMASTERRecordParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBWriteFormalChargesParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_BIOMOL_API bool hasPDBWriteFormalChargesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBWriteCONECTRecordsParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_BIOMOL_API void clearPDBResidueDictionaryParameter(Base::ControlParameterContainer &cntnr)
Definition of the preprocessor macro CDPL_BIOMOL_API.
CDPL_BIOMOL_API bool hasPDBApplyDictBondOrdersToNonStdResiduesParameter(const Base::ControlParameterContainer &cntnr)
The namespace of the Chemical Data Processing Library.
CDPL_BIOMOL_API void clearPDBWriteCONECTRecordsForAllBondsParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBApplyDictBondOrdersToStdResiduesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBApplyDictBondOrdersToStdResiduesParameter(Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API bool getStrictErrorCheckingParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearPDBTruncateLinesParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearPDBApplyDictAtomBondingToStdResiduesParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasCheckLineLengthParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearPDBApplyDictBondOrdersToNonStdResiduesParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBApplyDictAtomBondingToNonStdResiduesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBWriteCONECTRecordsReflectingBondOrderParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBIgnoreConectRecordsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBWriteCONECTRecordsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearCheckLineLengthParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBDeduceBondOrdersFromCONECTRecordsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBApplyDictAtomTypesParameter(Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API void clearCombineInterferingResidueCoordinatesParameter(Base::ControlParameterContainer &cntnr)
std::shared_ptr< ResidueDictionary > SharedPointer
Definition: ResidueDictionary.hpp:96
CDPL_BIOMOL_API void clearPDBDeduceBondOrdersFromCONECTRecordsParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBApplyDictBondOrdersToNonStdResiduesParameter(Base::ControlParameterContainer &cntnr, bool apply)
CDPL_BIOMOL_API void clearPDBApplyDictAtomBondingToNonStdResiduesParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBWriteCONECTRecordsReflectingBondOrderParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_BIOMOL_API void setPDBIgnoreConectRecordsParameter(Base::ControlParameterContainer &cntnr, bool ignore)
Definition of the class CDPL::Biomol::ResidueDictionary.
CDPL_BIOMOL_API void clearPDBPerceiveMissingBondOrdersParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API const ResidueDictionary::SharedPointer & getPDBResidueDictionaryParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setCombineInterferingResidueCoordinatesParameter(Base::ControlParameterContainer &cntnr, bool comb)
CDPL_BIOMOL_API bool getPDBApplyDictFormalAtomChargesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBApplyDictAtomTypesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearPDBApplyDictBondOrdersToStdResiduesParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearStrictErrorCheckingParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void clearPDBCalcMissingFormalChargesParameter(Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBWriteCONECTRecordsReflectingBondOrderParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool hasPDBApplyDictFormalAtomChargesParameter(const Base::ControlParameterContainer &cntnr)
#define CDPL_BIOMOL_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL_BIOMOL_API void setPDBResidueDictionaryParameter(Base::ControlParameterContainer &cntnr, const ResidueDictionary::SharedPointer &dict)
CDPL_BIOMOL_API bool getPDBApplyDictAtomBondingToStdResiduesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API bool getPDBTruncateLinesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_BIOMOL_API void setPDBDeduceBondOrdersFromCONECTRecordsParameter(Base::ControlParameterContainer &cntnr, bool deduce)
CDPL_BIOMOL_API void setStrictErrorCheckingParameter(Base::ControlParameterContainer &cntnr, bool strict)
CDPL_BIOMOL_API bool hasPDBTruncateLinesParameter(const Base::ControlParameterContainer &cntnr)