29 #ifndef CDPL_BIOMOL_CONTROLPARAMETERDEFAULT_HPP
30 #define CDPL_BIOMOL_CONTROLPARAMETERDEFAULT_HPP
48 namespace ControlParameterDefault
Definition of the preprocessor macro CDPL_BIOMOL_API.
#define CDPL_BIOMOL_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Type declaration of a generic wrapper class used to store a user-defined function for the processing ...
Definition of class CDPL::Biomol::ResidueDictionary.
std::shared_ptr< ResidueDictionary > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated ResidueDictionary instances.
Definition: ResidueDictionary.hpp:173
CDPL_BIOMOL_API const bool PDB_OUTPUT_FORMAL_CHARGES
Default setting (= true) for the control-parameter Biomol::ControlParameter::PDB_OUTPUT_FORMAL_CHARGE...
CDPL_BIOMOL_API const bool MMCIF_OUTPUT_BIOPOLYMERS_AS_CHEM_COMP
Default setting (= false) for the control-parameter Biomol::ControlParameter::MMCIF_OUTPUT_BIOPOLYMER...
CDPL_BIOMOL_API const bool CHECK_LINE_LENGTH
Default setting (= false) for the control-parameter Biomol::ControlParameter::CHECK_LINE_LENGTH.
CDPL_BIOMOL_API const bool PERCEIVE_MISSING_BOND_ORDERS
Default setting (= true) for the control-parameter Biomol::ControlParameter::PERCEIVE_MISSING_BOND_OR...
CDPL_BIOMOL_API const bool PDB_APPLY_DICT_BOND_ORDERS_TO_STD_RESIDUES
Default setting (= true) for the control-parameter Biomol::ControlParameter::PDB_APPLY_DICT_BOND_ORDE...
CDPL_BIOMOL_API const bool APPLY_DICT_FORMAL_CHARGES
Default setting (= true) for the control-parameter Biomol::ControlParameter::APPLY_DICT_FORMAL_CHARGE...
CDPL_BIOMOL_API const unsigned int PDB_FORMAT_VERSION
Default value (= Biomol::PDBFormatVersion::V3) for the control-parameter Biomol::ControlParameter::PD...
CDPL_BIOMOL_API const bool MMCIF_APPLY_DICT_BOND_ORDERS
Default setting (= true) for the control-parameter Biomol::ControlParameter::MMCIF_APPLY_DICT_BOND_OR...
CDPL_BIOMOL_API const bool PDB_APPLY_DICT_ATOM_BONDING_TO_STD_RESIDUES
Default setting (= true) for the control-parameter Biomol::ControlParameter::PDB_APPLY_DICT_ATOM_BOND...
CDPL_BIOMOL_API const bool PDB_OUTPUT_CONECT_RECORDS_FOR_ALL_BONDS
Default setting (= false) for the control-parameter Biomol::ControlParameter::PDB_OUTPUT_CONECT_RECOR...
CDPL_BIOMOL_API const bool PDB_IGNORE_CONECT_RECORDS
Default setting (= false) for the control-parameter Biomol::ControlParameter::PDB_IGNORE_CONECT_RECOR...
CDPL_BIOMOL_API const bool PDB_OUTPUT_CONECT_RECORDS
Default setting (= true) for the control-parameter Biomol::ControlParameter::PDB_OUTPUT_CONECT_RECORD...
CDPL_BIOMOL_API const bool APPLY_DICT_ATOM_TYPES
Default setting (= true) for the control-parameter Biomol::ControlParameter::APPLY_DICT_ATOM_TYPES.
CDPL_BIOMOL_API const MMCIFDataProcessingFunction MMCIF_OUTPUT_DATA_POSTPROC_FUNCTION
Default value (= empty function object) for the control-parameter Biomol::ControlParameter::MMCIF_OUT...
CDPL_BIOMOL_API const bool STRICT_ERROR_CHECKING
Default setting (= false) for the control-parameter Biomol::ControlParameter::STRICT_ERROR_CHECKING.
CDPL_BIOMOL_API const ResidueDictionary::SharedPointer RESIDUE_DICTIONARY
Default value (= empty shared pointer) for the control-parameter Biomol::ControlParameter::RESIDUE_DI...
CDPL_BIOMOL_API const bool PDB_EVALUATE_MASTER_RECORD
Default setting (= false) for the control-parameter Biomol::ControlParameter::PDB_EVALUATE_MASTER_REC...
CDPL_BIOMOL_API const bool PDB_DEDUCE_BOND_ORDERS_FROM_CONECT_RECORDS
Default setting (= false) for the control-parameter Biomol::ControlParameter::PDB_DEDUCE_BOND_ORDERS_...
CDPL_BIOMOL_API const bool COMBINE_INTERFERING_RESIDUE_COORDINATES
Default setting (= true) for the control-parameter Biomol::ControlParameter::COMBINE_INTERFERING_RESI...
CDPL_BIOMOL_API const bool CALC_MISSING_FORMAL_CHARGES
Default setting (= false) for the control-parameter Biomol::ControlParameter::CALC_MISSING_FORMAL_CHA...
CDPL_BIOMOL_API const bool PDB_IGNORE_FORMAL_CHARGE_FIELD
Default setting (= false) for the control-parameter Biomol::ControlParameter::PDB_IGNORE_FORMAL_CHARG...
CDPL_BIOMOL_API const bool PDB_OUTPUT_CONECT_RECORDS_REFLECTING_BOND_ORDER
Default setting (= false) for the control-parameter Biomol::ControlParameter::PDB_OUTPUT_CONECT_RECOR...
CDPL_BIOMOL_API const bool MMCIF_APPLY_DICT_ATOM_BONDING
Default setting (= true) for the control-parameter Biomol::ControlParameter::MMCIF_APPLY_DICT_ATOM_BO...
CDPL_BIOMOL_API const bool PDB_TRUNCATE_LINES
Default setting (= false) for the control-parameter Biomol::ControlParameter::PDB_TRUNCATE_LINES.
CDPL_BIOMOL_API const bool PDB_APPLY_DICT_ATOM_BONDING_TO_NON_STD_RESIDUES
Default setting (= false) for the control-parameter Biomol::ControlParameter::PDB_APPLY_DICT_ATOM_BON...
CDPL_BIOMOL_API const bool PDB_APPLY_DICT_BOND_ORDERS_TO_NON_STD_RESIDUES
Default setting (= true) for the control-parameter Biomol::ControlParameter::PDB_APPLY_DICT_BOND_ORDE...
std::function< void(Biomol::MMCIFData &, const Chem::MolecularGraph &)> MMCIFDataProcessingFunction
Generic wrapper class used to store a user-defined function for the processing of Biomol::MMCIFData i...
Definition: MMCIFDataProcessingFunction.hpp:47
The namespace of the Chemical Data Processing Library.