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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_CONTROLPARAMETERDEFAULT_HPP
30 #define CDPL_CHEM_CONTROLPARAMETERDEFAULT_HPP
48 namespace ControlParameterDefault
267 #endif // CDPL_CHEM_CONTROLPARAMETERDEFAULT_HPP
CDPL_CHEM_API const MultiConfMoleculeInputProcessor::SharedPointer MULTI_CONF_INPUT_PROCESSOR
Default setting (= pointer to Chem::DefaultMultiConfMoleculeInputProcessor instance) for the control-...
CDPL_CHEM_API const bool XYZ_CALC_FORMAL_CHARGES
CDPL_CHEM_API const bool SMILES_WRITE_RING_BOND_STEREO
Default setting (= true) for the control-parameter Chem::ControlParameter::SMILES_WRITE_RING_BOND_STE...
CDPL_CHEM_API const bool MDL_TRUNCATE_STRINGS
Default setting (= false) for the control-parameter Chem::ControlParameter::MDL_TRUNCATE_STRINGS.
Definition of the preprocessor macro CDPL_CHEM_API.
CDPL_CHEM_API const bool MDL_TRUNCATE_LINES
Default setting (= false) for the control-parameter Chem::ControlParameter::MDL_TRUNCATE_LINES.
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL_CHEM_API const bool MDL_TRIM_STRINGS
Default setting (= true) for the control-parameter Chem::ControlParameter::MDL_TRIM_STRINGS.
CDPL_CHEM_API const bool SMILES_WRITE_CANONICAL_FORM
Default setting (= false) for the control-parameter Chem::ControlParameter::SMILES_WRITE_CANONICAL_FO...
CDPL_CHEM_API const bool MDL_OUTPUT_CONF_ENERGY_TO_ENERGY_FIELD
Default setting (= false) for the control-parameter Chem::ControlParameter::MDL_OUTPUT_CONF_ENERGY_TO...
CDPL_CHEM_API const unsigned int MDL_RXN_FILE_VERSION
Default setting (= MDLDataFormatVersion::UNDEF) for the control-parameter Chem::ControlParameter::MDL...
CDPL_CHEM_API const bool SMILES_WRITE_ISOTOPE
Default setting (= true) for the control-parameter Chem::ControlParameter::SMILES_WRITE_ISOTOPE.
CDPL_CHEM_API const bool SMILES_WRITE_BOND_STEREO
Default setting (= true) for the control-parameter Chem::ControlParameter::SMILES_WRITE_BOND_STEREO.
CDPL_CHEM_API const unsigned int MDL_CTAB_VERSION
Default setting (= MDLDataFormatVersion::UNDEF) for the control-parameter Chem::ControlParameter::MDL...
CDPL_CHEM_API const bool SMILES_WRITE_AROMATIC_BONDS
Default setting (= false) for the control-parameter Chem::ControlParameter::SMILES_WRITE_AROMATIC_BON...
CDPL_CHEM_API const bool MDL_UPDATE_TIMESTAMP
Default setting (= false) for the control-parameter Chem::ControlParameter::MDL_UPDATE_TIMESTAMP.
CDPL_CHEM_API const bool SMILES_MOL_WRITE_ATOM_MAPPING_ID
Default setting (= false) for the control-parameter Chem::ControlParameter::SMILES_WRITE_ATOM_MAPPING...
CDPL_CHEM_API const bool BOND_MEMBER_SWAP_STEREO_FIX
Default setting (= true) for the control-parameter Chem::ControlParameter::BOND_MEMBER_SWAP_STEREO_FI...
CDPL_CHEM_API const unsigned int MOL2_CHARGE_TYPE
CDPL_CHEM_API const bool SMILES_WRITE_SINGLE_BONDS
Default setting (= false) for the control-parameter Chem::ControlParameter::SMILES_WRITE_SINGLE_BONDS...
CDPL_CHEM_API const std::string INCHI_OUTPUT_OPTIONS
Default setting (= "/WarnOnEmptyStructure /AuxNone /NEWPSOFF") for the control-parameter Chem::Contro...
CDPL_CHEM_API const bool CDF_WRITE_SINGLE_PRECISION_FLOATS
CDPL_CHEM_API const bool MULTI_CONF_IMPORT
Default setting (= true) for the control-parameter Chem::ControlParameter::MULTI_CONF_IMPORT.
CDPL_CHEM_API const bool MULTI_CONF_EXPORT
Default setting (= true) for the control-parameter Chem::ControlParameter::MULTI_CONF_EXPORT.
CDPL_CHEM_API const bool JME_SEPARATE_COMPONENTS
Default setting (= true) for the control-parameter Chem::ControlParameter::JME_SEPARATE_COMPONENTS.
CDPL_CHEM_API const bool MOL2_OUTPUT_SUBSTRUCTURES
CDPL_CHEM_API const bool XYZ_PERCEIVE_CONNECTIVITY
CDPL_CHEM_API const bool XYZ_PERCEIVE_BOND_ORDERS
CDPL_CHEM_API const bool STRICT_ERROR_CHECKING
Default setting (= false) for the control-parameter Chem::ControlParameter::STRICT_ERROR_CHECKING.
CDPL_CHEM_API const bool CHECK_LINE_LENGTH
Default setting (= false) for the control-parameter Chem::ControlParameter::CHECK_LINE_LENGTH.
CDPL_CHEM_API const bool MDL_IGNORE_PARITY
Default setting (= false) for the control-parameter Chem::ControlParameter::MDL_IGNORE_PARITY.
CDPL_CHEM_API const bool ORDINARY_HYDROGEN_DEPLETE
Default setting (= true) for the control-parameter Chem::ControlParameter::ORDINARY_HYDROGEN_DEPLETE.
CDPL_CHEM_API const std::size_t COORDINATES_DIMENSION
Default setting (= 1) for the control-parameter Chem::ControlParameter::COORDINATES_DIMENSION.
CDPL_CHEM_API const std::size_t SMILES_MIN_STEREO_BOND_RING_SIZE
Default setting (= 8) for the control-parameter Chem::ControlParameter::SMILES_MIN_STEREO_BOND_RING_S...
CDPL_CHEM_API const std::string SMILES_RECORD_FORMAT
Default setting (= "S") for the control-parameter Chem::ControlParameter::SMILES_RECORD_FORMAT.
CDPL_CHEM_API const bool MOL2_ENABLE_AROMATIC_BOND_TYPES
CDPL_CHEM_API const bool OUTPUT_CONF_ENERGY_AS_COMMENT
Default setting (= false) for the control-parameter Chem::ControlParameter::OUTPUT_CONF_ENERGY_AS_COM...
CDPL_CHEM_API const std::string INCHI_INPUT_OPTIONS
Default setting (= "") for the control-parameter Chem::ControlParameter::INCHI_INPUT_OPTIONS.
CDPL_CHEM_API const bool SMILES_RXN_WRITE_ATOM_MAPPING_ID
Default setting (= true) for the control-parameter Chem::ControlParameter::SMILES_WRITE_ATOM_MAPPING_...
CDPL_CHEM_API const unsigned int MOL2_MOLECULE_TYPE
CDPL_CHEM_API const bool MOL2_CALC_FORMAL_CHARGES
CDPL_CHEM_API const bool SMILES_NO_ORGANIC_SUBSET
Default setting (= false) for the control-parameter Chem::ControlParameter::SMILES_NO_ORGANIC_SUBSET.
CDPL_CHEM_API const bool SMILES_WRITE_ATOM_STEREO
Default setting (= true) for the control-parameter Chem::ControlParameter::SMILES_WRITE_ATOM_STEREO.
CDPL_CHEM_API const bool MOL2_ENABLE_EXTENDED_ATOM_TYPES
The namespace of the Chemical Data Processing Library.
CDPL_CHEM_API const std::string MDL_CONF_ENERGY_SD_TAG
Default setting (= "<Energy>") for the control-parameter Chem::ControlParameter::MDL_CONF_ENERGY_SD_T...
CDPL_CHEM_API const bool MDL_OUTPUT_CONF_ENERGY_AS_SD_ENTRY
Default setting (= false) for the control-parameter Chem::ControlParameter::MDL_OUTPUT_CONF_ENERGY_AS...
CDPL_CHEM_API const std::string CONF_INDEX_NAME_SUFFIX_PATTERN
CDPL_CHEM_API const bool MDL_TRIM_LINES
Default setting (= false) for the control-parameter Chem::ControlParameter::MDL_TRIM_LINES.
CDPL_CHEM_API const bool SMILES_WRITE_KEKULE_FORM
Default setting (= false) for the control-parameter Chem::ControlParameter::SMILES_WRITE_KEKULE_FORM.
CDPL_CHEM_API const std::string RECORD_SEPARATOR
Default setting (= "\n") for the control-parameter Chem::ControlParameter::RECORD_SEPARATOR.
CDPL_CHEM_API const bool XYZ_COMMENT_IS_NAME