Chemical Data Processing Library C++ API - Version 1.4.0
Biomol/ControlParameterDefault.hpp
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1 /*
2  * ControlParameterDefault.hpp
3  *
4  * This file is part of the Chemical Data Processing Toolkit
5  *
6  * Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>
7  *
8  * This library is free software; you can redistribute it and/or
9  * modify it under the terms of the GNU Lesser General Public
10  * License as published by the Free Software Foundation; either
11  * version 2 of the License, or (at your option) any later version.
12  *
13  * This library is distributed in the hope that it will be useful,
14  * but WITHOUT ANY WARRANTY; without even the implied warranty of
15  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
16  * Lesser General Public License for more details.
17  *
18  * You should have received a copy of the GNU Lesser General Public License
19  * along with this library; see the file COPYING. If not, write to
20  * the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
21  * Boston, MA 02111-1307, USA.
22  */
23 
29 #ifndef CDPL_BIOMOL_CONTROLPARAMETERDEFAULT_HPP
30 #define CDPL_BIOMOL_CONTROLPARAMETERDEFAULT_HPP
31 
32 #include <cstddef>
33 
37 
38 
39 namespace CDPL
40 {
41 
42  namespace Biomol
43  {
44 
48  namespace ControlParameterDefault
49  {
50 
54  extern CDPL_BIOMOL_API const bool STRICT_ERROR_CHECKING;
55 
59  extern CDPL_BIOMOL_API const bool CHECK_LINE_LENGTH;
60 
67 
73 
78  extern CDPL_BIOMOL_API const bool APPLY_DICT_ATOM_TYPES;
79 
85 
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96 
101 
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111 
116 
120  extern CDPL_BIOMOL_API const bool PDB_IGNORE_CONECT_RECORDS;
121 
126 
131 
136 
140  extern CDPL_BIOMOL_API const bool PDB_TRUNCATE_LINES;
141 
146  extern CDPL_BIOMOL_API const bool PDB_OUTPUT_FORMAL_CHARGES;
147 
152  extern CDPL_BIOMOL_API const bool PDB_OUTPUT_CONECT_RECORDS;
153 
159 
165 
169  extern CDPL_BIOMOL_API const unsigned int PDB_FORMAT_VERSION;
170 
176 
182 
188 
195  } // namespace ControlParameterDefault
196  } // namespace Biomol
197 } // namespace CDPL
198 
199 #endif // CDPL_BIOMOL_CONTROLPARAMETERDEFAULT_HPP
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.