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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_CONTROLPARAMETERFUNCTIONS_HPP
30 #define CDPL_CHEM_CONTROLPARAMETERFUNCTIONS_HPP
46 class ControlParameterContainer;
495 #endif // CDPL_CHEM_CONTROLPARAMETERFUNCTIONS_HPP
CDPL_CHEM_API void clearSMILESWriteAtomStereoParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearSMILESWriteCanonicalFormParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMDLCTABVersionParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setSMILESWriteCanonicalFormParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_CHEM_API void setMDLTruncateLinesParameter(Base::ControlParameterContainer &cntnr, bool trunc)
CDPL_CHEM_API bool hasXYZPerceiveConnectivityParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearJMESeparateComponentsParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getMDLTruncateStringsParameter(const Base::ControlParameterContainer &cntnr)
A class providing methods for the storage and lookup of control-parameter values.
Definition: ControlParameterContainer.hpp:93
CDPL_CHEM_API bool getMOL2EnableAromaticBondTypesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearConfIndexNameSuffixPatternParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMDLOutputConfEnergyToEnergyFieldParameter(const Base::ControlParameterContainer &cntnr)
Definition of the preprocessor macro CDPL_CHEM_API.
CDPL_CHEM_API unsigned int getMDLCTABVersionParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API const std::string & getConfIndexNameSuffixPatternParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearXYZCommentIsNameParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearCDFWriteSinglePrecisionFloatsParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API unsigned int getMDLRXNFileVersionParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearStrictErrorCheckingParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearSMILESWriteAromaticBondsParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getStrictErrorCheckingParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMOL2CalcFormalChargesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasXYZPerceiveBondOrdersParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getBondMemberSwapStereoFixParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API const std::string & getRecordSeparatorParameter(const Base::ControlParameterContainer &cntnr)
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL_CHEM_API void clearMDLRXNFileVersionParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearINCHIInputOptionsParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getMDLTrimStringsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getMDLUpdateTimestampParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMDLUpdateTimestampParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearXYZPerceiveConnectivityParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMDLTrimStringsParameter(Base::ControlParameterContainer &cntnr, bool trim)
CDPL_CHEM_API std::size_t getCoordinatesDimensionParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getXYZPerceiveConnectivityParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearINCHIOutputOptionsParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMOL2EnableExtendedAtomTypesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMOL2ChargeTypeParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasCDFWriteSinglePrecisionFloatsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMOL2CalcFormalChargesParameter(Base::ControlParameterContainer &cntnr, bool calc)
CDPL_CHEM_API bool getSMILESWriteBondStereoParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearOutputConfEnergyAsCommentParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setOutputConfEnergyAsCommentParameter(Base::ControlParameterContainer &cntnr, bool output)
CDPL_CHEM_API void setMultiConfInputProcessorParameter(Base::ControlParameterContainer &cntnr, const MultiConfMoleculeInputProcessor::SharedPointer &proc)
CDPL_CHEM_API void clearMDLTruncateLinesParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasBondMemberSwapStereoFixParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMDLTrimLinesParameter(Base::ControlParameterContainer &cntnr, bool trim)
CDPL_CHEM_API void setMDLUpdateTimestampParameter(Base::ControlParameterContainer &cntnr, bool update)
CDPL_CHEM_API bool getSMILESNoOrganicSubsetParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getSMILESWriteSingleBondsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMOL2OutputSubstructuresParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMultiConfExportParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMOL2CalcFormalChargesParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasSMILESRxnWriteAtomMappingIDParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setJMESeparateComponentsParameter(Base::ControlParameterContainer &cntnr, bool separate)
CDPL_CHEM_API void setOrdinaryHydrogenDepleteParameter(Base::ControlParameterContainer &cntnr, bool deplete)
CDPL_CHEM_API bool hasXYZCommentIsNameParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API const std::string & getSMILESRecordFormatParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getMultiConfExportParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMOL2OutputSubstructuresParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMOL2EnableAromaticBondTypesParameter(Base::ControlParameterContainer &cntnr, bool enable)
CDPL_CHEM_API bool getSMILESWriteKekuleFormParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasCoordinatesDimensionParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getMDLTruncateLinesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearSMILESMinStereoBondRingSizeParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMDLConfEnergySDTagParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getSMILESRxnWriteAtomMappingIDParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasOrdinaryHydrogenDepleteParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMDLUpdateTimestampParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMDLIgnoreParityParameter(Base::ControlParameterContainer &cntnr, bool ignore)
CDPL_CHEM_API void clearCoordinatesDimensionParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasOutputConfEnergyAsCommentParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMDLRXNFileVersionParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearCheckLineLengthParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setXYZCommentIsNameParameter(Base::ControlParameterContainer &cntnr, bool is_name)
CDPL_CHEM_API bool getMultiConfImportParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMDLTrimLinesParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMDLTruncateStringsParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setConfIndexNameSuffixPatternParameter(Base::ControlParameterContainer &cntnr, const std::string &pattern)
CDPL_CHEM_API void setSMILESNoOrganicSubsetParameter(Base::ControlParameterContainer &cntnr, bool no_subset)
CDPL_CHEM_API unsigned int getMOL2MoleculeTypeParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMDLTruncateStringsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setSMILESWriteAtomStereoParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_CHEM_API void clearXYZPerceiveBondOrdersParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setSMILESWriteAromaticBondsParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_CHEM_API bool hasSMILESWriteAtomStereoParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getMOL2EnableExtendedAtomTypesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearSMILESRecordFormatParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasCheckLineLengthParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getSMILESWriteRingBondStereoParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMultiConfImportParameter(Base::ControlParameterContainer &cntnr, bool multi_conf)
CDPL_CHEM_API void setMOL2OutputSubstructuresParameter(Base::ControlParameterContainer &cntnr, bool output)
CDPL_CHEM_API void setSMILESWriteIsotopeParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_CHEM_API bool hasSMILESWriteKekuleFormParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setSMILESWriteRingBondStereoParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_CHEM_API void setSMILESWriteSingleBondsParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_CHEM_API void setRecordSeparatorParameter(Base::ControlParameterContainer &cntnr, const std::string &sep)
CDPL_CHEM_API void clearMDLTrimStringsParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasSMILESWriteAromaticBondsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API const std::string & getINCHIInputOptionsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMDLIgnoreParityParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setSMILESMinStereoBondRingSizeParameter(Base::ControlParameterContainer &cntnr, std::size_t min_size)
CDPL_CHEM_API void clearMOL2EnableExtendedAtomTypesParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasSMILESWriteBondStereoParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearOrdinaryHydrogenDepleteParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getMOL2CalcFormalChargesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMDLOutputConfEnergyAsSDEntryParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMultiConfInputProcessorParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMOL2EnableAromaticBondTypesParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API unsigned int getMOL2ChargeTypeParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setXYZCalcFormalChargesParameter(Base::ControlParameterContainer &cntnr, bool calc)
CDPL_CHEM_API void clearBondMemberSwapStereoFixParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setSMILESWriteBondStereoParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_CHEM_API bool getMDLIgnoreParityParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearSMILESMolWriteAtomMappingIDParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API const MultiConfMoleculeInputProcessor::SharedPointer & getMultiConfInputProcessorParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMOL2MoleculeTypeParameter(Base::ControlParameterContainer &cntnr, unsigned int type)
CDPL_CHEM_API void setMDLOutputConfEnergyAsSDEntryParameter(Base::ControlParameterContainer &cntnr, bool output)
CDPL_CHEM_API bool hasSMILESWriteCanonicalFormParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasSMILESWriteRingBondStereoParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearSMILESWriteIsotopeParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getCDFWriteSinglePrecisionFloatsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMDLOutputConfEnergyAsSDEntryParameter(Base::ControlParameterContainer &cntnr)
The namespace of the Chemical Data Processing Library.
CDPL_CHEM_API void setCDFWriteSinglePrecisionFloatsParameter(Base::ControlParameterContainer &cntnr, bool single_prec)
CDPL_CHEM_API bool getSMILESWriteCanonicalFormParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getSMILESWriteIsotopeParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasRecordSeparatorParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API const std::string & getINCHIOutputOptionsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearSMILESWriteRingBondStereoParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasJMESeparateComponentsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMOL2ChargeTypeParameter(Base::ControlParameterContainer &cntnr, unsigned int type)
CDPL_CHEM_API void setSMILESMolWriteAtomMappingIDParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_CHEM_API bool getMDLOutputConfEnergyToEnergyFieldParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMDLRXNFileVersionParameter(Base::ControlParameterContainer &cntnr, unsigned int version)
CDPL_CHEM_API bool hasMDLTruncateLinesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearSMILESNoOrganicSubsetParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearSMILESRxnWriteAtomMappingIDParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getXYZCommentIsNameParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMultiConfExportParameter(Base::ControlParameterContainer &cntnr, bool multi_conf)
CDPL_CHEM_API void setINCHIOutputOptionsParameter(Base::ControlParameterContainer &cntnr, const std::string &opts)
CDPL_CHEM_API void clearMDLOutputConfEnergyToEnergyFieldParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasSMILESNoOrganicSubsetParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasINCHIOutputOptionsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearSMILESWriteSingleBondsParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasSMILESMinStereoBondRingSizeParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearXYZCalcFormalChargesParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMDLConfEnergySDTagParameter(Base::ControlParameterContainer &cntnr, const std::string &tag)
CDPL_CHEM_API bool hasMDLTrimLinesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearSMILESWriteBondStereoParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMOL2MoleculeTypeParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMultiConfExportParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMultiConfInputProcessorParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getOrdinaryHydrogenDepleteParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setSMILESRecordFormatParameter(Base::ControlParameterContainer &cntnr, const std::string &format)
CDPL_CHEM_API void setBondMemberSwapStereoFixParameter(Base::ControlParameterContainer &cntnr, bool fix)
CDPL_CHEM_API bool hasSMILESMolWriteAtomMappingIDParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setSMILESWriteKekuleFormParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_CHEM_API void setCheckLineLengthParameter(Base::ControlParameterContainer &cntnr, bool check)
CDPL_CHEM_API bool hasINCHIInputOptionsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMOL2EnableAromaticBondTypesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMultiConfImportParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getJMESeparateComponentsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMDLCTABVersionParameter(Base::ControlParameterContainer &cntnr, unsigned int version)
CDPL_CHEM_API bool getSMILESWriteAtomStereoParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setMDLTruncateStringsParameter(Base::ControlParameterContainer &cntnr, bool trunc)
CDPL_CHEM_API void setMOL2EnableExtendedAtomTypesParameter(Base::ControlParameterContainer &cntnr, bool enable)
CDPL_CHEM_API bool getXYZPerceiveBondOrdersParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getMDLTrimLinesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMOL2MoleculeTypeParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getXYZCalcFormalChargesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMultiConfImportParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasSMILESWriteSingleBondsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getCheckLineLengthParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearRecordSeparatorParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setCoordinatesDimensionParameter(Base::ControlParameterContainer &cntnr, std::size_t dim)
CDPL_CHEM_API const std::string & getMDLConfEnergySDTagParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setINCHIInputOptionsParameter(Base::ControlParameterContainer &cntnr, const std::string &opts)
CDPL_CHEM_API void clearMDLCTABVersionParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getMOL2OutputSubstructuresParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getMDLOutputConfEnergyAsSDEntryParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasMDLTrimStringsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getOutputConfEnergyAsCommentParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getSMILESWriteAromaticBondsParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasSMILESWriteIsotopeParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasXYZCalcFormalChargesParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setStrictErrorCheckingParameter(Base::ControlParameterContainer &cntnr, bool strict)
CDPL_CHEM_API void setXYZPerceiveBondOrdersParameter(Base::ControlParameterContainer &cntnr, bool perceive)
CDPL_CHEM_API void setMDLOutputConfEnergyToEnergyFieldParameter(Base::ControlParameterContainer &cntnr, bool output)
CDPL_CHEM_API void clearSMILESWriteKekuleFormParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasConfIndexNameSuffixPatternParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMOL2ChargeTypeParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool getSMILESMolWriteAtomMappingIDParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasStrictErrorCheckingParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API std::size_t getSMILESMinStereoBondRingSizeParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setSMILESRxnWriteAtomMappingIDParameter(Base::ControlParameterContainer &cntnr, bool write)
CDPL_CHEM_API void clearMDLIgnoreParityParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void clearMDLConfEnergySDTagParameter(Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API bool hasSMILESRecordFormatParameter(const Base::ControlParameterContainer &cntnr)
CDPL_CHEM_API void setXYZPerceiveConnectivityParameter(Base::ControlParameterContainer &cntnr, bool perceive)