Chemical Data Processing Library C++ API - Version 1.2.0
Variables
CDPL::Biomol::ControlParameter Namespace Reference

Provides keys for built-in control-parameters. More...

Variables

CDPL_BIOMOL_API const Base::LookupKey STRICT_ERROR_CHECKING
 Specifies whether non-fatal recoverable I/O errors should be ignored or cause an I/O operation to fail. More...
 
CDPL_BIOMOL_API const Base::LookupKey CHECK_LINE_LENGTH
 Specifies whether to check if data lines exceed the maximum allowed line length when reading or writing data in PDB [PDB] format. More...
 
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_DICTIONARY
 
CDPL_BIOMOL_API const Base::LookupKey APPLY_DICT_FORMAL_CHARGES
 
CDPL_BIOMOL_API const Base::LookupKey APPLY_DICT_ATOM_TYPES
 
CDPL_BIOMOL_API const Base::LookupKey CALC_MISSING_FORMAL_CHARGES
 
CDPL_BIOMOL_API const Base::LookupKey PERCEIVE_MISSING_BOND_ORDERS
 
CDPL_BIOMOL_API const Base::LookupKey COMBINE_INTERFERING_RESIDUE_COORDINATES
 
CDPL_BIOMOL_API const Base::LookupKey PDB_APPLY_DICT_ATOM_BONDING_TO_NON_STD_RESIDUES
 
CDPL_BIOMOL_API const Base::LookupKey PDB_APPLY_DICT_ATOM_BONDING_TO_STD_RESIDUES
 
CDPL_BIOMOL_API const Base::LookupKey PDB_APPLY_DICT_BOND_ORDERS_TO_NON_STD_RESIDUES
 
CDPL_BIOMOL_API const Base::LookupKey PDB_APPLY_DICT_BOND_ORDERS_TO_STD_RESIDUES
 
CDPL_BIOMOL_API const Base::LookupKey PDB_IGNORE_CONECT_RECORDS
 
CDPL_BIOMOL_API const Base::LookupKey PDB_DEDUCE_BOND_ORDERS_FROM_CONECT_RECORDS
 
CDPL_BIOMOL_API const Base::LookupKey PDB_IGNORE_FORMAL_CHARGE_FIELD
 
CDPL_BIOMOL_API const Base::LookupKey PDB_EVALUATE_MASTER_RECORD
 
CDPL_BIOMOL_API const Base::LookupKey PDB_TRUNCATE_LINES
 
CDPL_BIOMOL_API const Base::LookupKey PDB_WRITE_FORMAL_CHARGES
 
CDPL_BIOMOL_API const Base::LookupKey PDB_WRITE_CONECT_RECORDS
 
CDPL_BIOMOL_API const Base::LookupKey PDB_WRITE_CONECT_RECORDS_FOR_ALL_BONDS
 
CDPL_BIOMOL_API const Base::LookupKey PDB_WRITE_CONECT_RECORDS_REFLECTING_BOND_ORDER
 
CDPL_BIOMOL_API const Base::LookupKey PDB_FORMAT_VERSION
 
CDPL_BIOMOL_API const Base::LookupKey MMCIF_APPLY_DICT_ATOM_BONDING
 
CDPL_BIOMOL_API const Base::LookupKey MMCIF_APPLY_DICT_BOND_ORDERS
 
CDPL_BIOMOL_API const Base::LookupKey MMCIF_OUTPUT_BIOPOLYMERS_AS_CHEM_COMP
 
CDPL_BIOMOL_API const Base::LookupKey MMCIF_OUTPUT_DATA_POSTPROC_FUNCTION
 

Detailed Description

Provides keys for built-in control-parameters.

Variable Documentation

◆ STRICT_ERROR_CHECKING

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::STRICT_ERROR_CHECKING
extern

Specifies whether non-fatal recoverable I/O errors should be ignored or cause an I/O operation to fail.

If the control-parameter is set to true, not only severe errors cause an I/O operation to fail, but also non-fatal errors from which a recovery would be possible. If the control-parameter is set to false, I/O operations will proceed even if a non-fatal error has been detected.

Value Type: bool

◆ CHECK_LINE_LENGTH

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::CHECK_LINE_LENGTH
extern

Specifies whether to check if data lines exceed the maximum allowed line length when reading or writing data in PDB [PDB] format.

If the control-parameter is set to true, the length of data lines that were read from or have to be written to data encoded in one of the above mentioned formats will be checked against the maximum allowed line length. Lines that exceeded the line length limit are considered as an error condition and cause the input or output operation to fail. If CHECK_LINE_LENGTH is false, the length of data lines will not be checked and has no impact on the success of the performed I/O operation.

Value Type: bool

◆ RESIDUE_DICTIONARY

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::RESIDUE_DICTIONARY
extern
Since
1.2

◆ APPLY_DICT_FORMAL_CHARGES

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::APPLY_DICT_FORMAL_CHARGES
extern
Since
1.2

◆ APPLY_DICT_ATOM_TYPES

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::APPLY_DICT_ATOM_TYPES
extern
Since
1.2

◆ CALC_MISSING_FORMAL_CHARGES

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::CALC_MISSING_FORMAL_CHARGES
extern
Since
1.2

◆ PERCEIVE_MISSING_BOND_ORDERS

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PERCEIVE_MISSING_BOND_ORDERS
extern
Since
1.2

◆ COMBINE_INTERFERING_RESIDUE_COORDINATES

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::COMBINE_INTERFERING_RESIDUE_COORDINATES
extern

◆ PDB_APPLY_DICT_ATOM_BONDING_TO_NON_STD_RESIDUES

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_APPLY_DICT_ATOM_BONDING_TO_NON_STD_RESIDUES
extern

◆ PDB_APPLY_DICT_ATOM_BONDING_TO_STD_RESIDUES

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_APPLY_DICT_ATOM_BONDING_TO_STD_RESIDUES
extern

◆ PDB_APPLY_DICT_BOND_ORDERS_TO_NON_STD_RESIDUES

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_APPLY_DICT_BOND_ORDERS_TO_NON_STD_RESIDUES
extern

◆ PDB_APPLY_DICT_BOND_ORDERS_TO_STD_RESIDUES

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_APPLY_DICT_BOND_ORDERS_TO_STD_RESIDUES
extern

◆ PDB_IGNORE_CONECT_RECORDS

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_IGNORE_CONECT_RECORDS
extern

◆ PDB_DEDUCE_BOND_ORDERS_FROM_CONECT_RECORDS

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_DEDUCE_BOND_ORDERS_FROM_CONECT_RECORDS
extern

◆ PDB_IGNORE_FORMAL_CHARGE_FIELD

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_IGNORE_FORMAL_CHARGE_FIELD
extern

◆ PDB_EVALUATE_MASTER_RECORD

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_EVALUATE_MASTER_RECORD
extern

◆ PDB_TRUNCATE_LINES

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_TRUNCATE_LINES
extern

◆ PDB_WRITE_FORMAL_CHARGES

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_WRITE_FORMAL_CHARGES
extern

◆ PDB_WRITE_CONECT_RECORDS

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_WRITE_CONECT_RECORDS
extern

◆ PDB_WRITE_CONECT_RECORDS_FOR_ALL_BONDS

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_WRITE_CONECT_RECORDS_FOR_ALL_BONDS
extern

◆ PDB_WRITE_CONECT_RECORDS_REFLECTING_BOND_ORDER

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_WRITE_CONECT_RECORDS_REFLECTING_BOND_ORDER
extern

◆ PDB_FORMAT_VERSION

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::PDB_FORMAT_VERSION
extern

◆ MMCIF_APPLY_DICT_ATOM_BONDING

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::MMCIF_APPLY_DICT_ATOM_BONDING
extern
Since
1.2

◆ MMCIF_APPLY_DICT_BOND_ORDERS

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::MMCIF_APPLY_DICT_BOND_ORDERS
extern
Since
1.2

◆ MMCIF_OUTPUT_BIOPOLYMERS_AS_CHEM_COMP

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::MMCIF_OUTPUT_BIOPOLYMERS_AS_CHEM_COMP
extern
Since
1.2

◆ MMCIF_OUTPUT_DATA_POSTPROC_FUNCTION

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::ControlParameter::MMCIF_OUTPUT_DATA_POSTPROC_FUNCTION
extern
Since
1.2
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