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:177
CDPL_BIOMOL_API const bool PDB_OUTPUT_FORMAL_CHARGES
Default value (= true) of the control-parameter Biomol::ControlParameter::PDB_OUTPUT_FORMAL_CHARGES.
CDPL_BIOMOL_API const bool MMCIF_OUTPUT_BIOPOLYMERS_AS_CHEM_COMP
Default value (= false) of the control-parameter Biomol::ControlParameter::MMCIF_OUTPUT_BIOPOLYMERS_A...
CDPL_BIOMOL_API const bool CHECK_LINE_LENGTH
Default value (= false) of the control-parameter Biomol::ControlParameter::CHECK_LINE_LENGTH.
CDPL_BIOMOL_API const bool PERCEIVE_MISSING_BOND_ORDERS
Default value (= true) of the control-parameter Biomol::ControlParameter::PERCEIVE_MISSING_BOND_ORDER...
CDPL_BIOMOL_API const bool PDB_APPLY_DICT_BOND_ORDERS_TO_STD_RESIDUES
Default value (= true) of the control-parameter Biomol::ControlParameter::PDB_APPLY_DICT_BOND_ORDERS_...
CDPL_BIOMOL_API const bool APPLY_DICT_FORMAL_CHARGES
Default value (= true) of the control-parameter Biomol::ControlParameter::APPLY_DICT_FORMAL_CHARGES.
CDPL_BIOMOL_API const unsigned int PDB_FORMAT_VERSION
Default value (= Biomol::PDBFormatVersion::V3) of the control-parameter Biomol::ControlParameter::PDB...
CDPL_BIOMOL_API const bool MMCIF_APPLY_DICT_BOND_ORDERS
Default value (= true) of the control-parameter Biomol::ControlParameter::MMCIF_APPLY_DICT_BOND_ORDER...
CDPL_BIOMOL_API const bool PDB_APPLY_DICT_ATOM_BONDING_TO_STD_RESIDUES
Default value (= true) of the control-parameter Biomol::ControlParameter::PDB_APPLY_DICT_ATOM_BONDING...
CDPL_BIOMOL_API const bool PDB_OUTPUT_CONECT_RECORDS_FOR_ALL_BONDS
Default value (= false) of the control-parameter Biomol::ControlParameter::PDB_OUTPUT_CONECT_RECORDS_...
CDPL_BIOMOL_API const bool PDB_IGNORE_CONECT_RECORDS
Default value (= false) of the control-parameter Biomol::ControlParameter::PDB_IGNORE_CONECT_RECORDS.
CDPL_BIOMOL_API const bool PDB_OUTPUT_CONECT_RECORDS
Default value (= true) of the control-parameter Biomol::ControlParameter::PDB_OUTPUT_CONECT_RECORDS.
CDPL_BIOMOL_API const bool APPLY_DICT_ATOM_TYPES
Default value (= true) of the control-parameter Biomol::ControlParameter::APPLY_DICT_ATOM_TYPES.
CDPL_BIOMOL_API const MMCIFDataProcessingFunction MMCIF_OUTPUT_DATA_POSTPROC_FUNCTION
Default value (= MMCIFDataProcessingFunction()) of the control-parameter Biomol::ControlParameter::MM...
CDPL_BIOMOL_API const bool STRICT_ERROR_CHECKING
Default value (= false) of the control-parameter Biomol::ControlParameter::STRICT_ERROR_CHECKING.
CDPL_BIOMOL_API const ResidueDictionary::SharedPointer RESIDUE_DICTIONARY
Default value (= ResidueDictionary::SharedPointer()) of the control-parameter Biomol::ControlParamete...
CDPL_BIOMOL_API const bool PDB_EVALUATE_MASTER_RECORD
Default value (= false) of the control-parameter Biomol::ControlParameter::PDB_EVALUATE_MASTER_RECORD...
CDPL_BIOMOL_API const bool PDB_DEDUCE_BOND_ORDERS_FROM_CONECT_RECORDS
Default value (= false) of the control-parameter Biomol::ControlParameter::PDB_DEDUCE_BOND_ORDERS_FRO...
CDPL_BIOMOL_API const bool COMBINE_INTERFERING_RESIDUE_COORDINATES
Default value (= true) of the control-parameter Biomol::ControlParameter::COMBINE_INTERFERING_RESIDUE...
CDPL_BIOMOL_API const bool CALC_MISSING_FORMAL_CHARGES
Default value (= false) of the control-parameter Biomol::ControlParameter::CALC_MISSING_FORMAL_CHARGE...
CDPL_BIOMOL_API const bool PDB_IGNORE_FORMAL_CHARGE_FIELD
Default value (= false) of the control-parameter Biomol::ControlParameter::PDB_IGNORE_FORMAL_CHARGE_F...
CDPL_BIOMOL_API const bool PDB_OUTPUT_CONECT_RECORDS_REFLECTING_BOND_ORDER
Default value (= false) of the control-parameter Biomol::ControlParameter::PDB_OUTPUT_CONECT_RECORDS_...
CDPL_BIOMOL_API const bool MMCIF_APPLY_DICT_ATOM_BONDING
Default value (= true) of the control-parameter Biomol::ControlParameter::MMCIF_APPLY_DICT_ATOM_BONDI...
CDPL_BIOMOL_API const bool PDB_TRUNCATE_LINES
Default value (= false) of the control-parameter Biomol::ControlParameter::PDB_TRUNCATE_LINES.
CDPL_BIOMOL_API const bool PDB_APPLY_DICT_ATOM_BONDING_TO_NON_STD_RESIDUES
Default value (= false) of the control-parameter Biomol::ControlParameter::PDB_APPLY_DICT_ATOM_BONDIN...
CDPL_BIOMOL_API const bool PDB_APPLY_DICT_BOND_ORDERS_TO_NON_STD_RESIDUES
Default value (= true) of the control-parameter Biomol::ControlParameter::PDB_APPLY_DICT_BOND_ORDERS_...
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.