Chemical Data Processing Library C++ API - Version 1.4.0
Biomol/ControlParameter.hpp
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1 /*
2  * ControlParameter.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_CONTROLPARAMETER_HPP
30 #define CDPL_BIOMOL_CONTROLPARAMETER_HPP
31 
33 
34 
35 namespace CDPL
36 {
37 
38  namespace Base
39  {
40 
41  class LookupKey;
42  }
43 
44  namespace Biomol
45  {
46 
50  namespace ControlParameter
51  {
52 
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277  } // namespace ControlParameter
278  } // namespace Biomol
279 } // namespace CDPL
280 
281 #endif // CDPL_BIOMOL_CONTROLPARAMETER_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.
Unique lookup key for control-parameter and property values.
Definition: LookupKey.hpp:54
CDPL_BIOMOL_API const Base::LookupKey MMCIF_OUTPUT_BIOPOLYMERS_AS_CHEM_COMP
Specifies whether to emit biopolymer residues using the chem_comp data category (instead of the regul...
CDPL_BIOMOL_API const Base::LookupKey PDB_EVALUATE_MASTER_RECORD
Specifies whether to verify the record counts in the PDB MASTER record against the actual numbers obs...
CDPL_BIOMOL_API const Base::LookupKey MMCIF_APPLY_DICT_ATOM_BONDING
Specifies whether to use the residue dictionary to derive atom-bonding when reading mmCIF data.
CDPL_BIOMOL_API const Base::LookupKey PDB_TRUNCATE_LINES
Specifies whether to truncate output PDB data lines that exceed the maximum allowed line length inste...
CDPL_BIOMOL_API const Base::LookupKey PDB_OUTPUT_CONECT_RECORDS
Specifies whether to write CONECT records when generating PDB output.
CDPL_BIOMOL_API const Base::LookupKey PDB_OUTPUT_CONECT_RECORDS_FOR_ALL_BONDS
Specifies whether CONECT records shall be written for all bonds (and not only for non-standard ones) ...
CDPL_BIOMOL_API const Base::LookupKey MMCIF_OUTPUT_DATA_POSTPROC_FUNCTION
Specifies a post-processing function that is applied to the constructed mmCIF data record before it i...
CDPL_BIOMOL_API const Base::LookupKey COMBINE_INTERFERING_RESIDUE_COORDINATES
Specifies whether to merge alternative residue conformers whose atoms overlap in space (see Biomol::c...
CDPL_BIOMOL_API const Base::LookupKey PDB_IGNORE_FORMAL_CHARGE_FIELD
Specifies whether to ignore the formal-charge field of ATOM/HETATM records when reading PDB data.
CDPL_BIOMOL_API const Base::LookupKey APPLY_DICT_FORMAL_CHARGES
Specifies whether to apply the formal atom charges provided by the residue dictionary during input da...
CDPL_BIOMOL_API const Base::LookupKey PDB_FORMAT_VERSION
Specifies the PDB format version to use when generating PDB output (see Biomol::PDBFormatVersion).
CDPL_BIOMOL_API const Base::LookupKey APPLY_DICT_ATOM_TYPES
Specifies whether to apply the atom types provided by the residue dictionary during input data post-p...
CDPL_BIOMOL_API const Base::LookupKey PDB_APPLY_DICT_ATOM_BONDING_TO_STD_RESIDUES
Specifies whether to use the residue dictionary to derive atom-bonding for atoms of standard residues...
CDPL_BIOMOL_API const Base::LookupKey MMCIF_APPLY_DICT_BOND_ORDERS
Specifies whether to apply the residue-dictionary bond orders when reading mmCIF data.
CDPL_BIOMOL_API const Base::LookupKey PDB_IGNORE_CONECT_RECORDS
Specifies whether to skip CONECT records when reading PDB data.
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 fai...
CDPL_BIOMOL_API const Base::LookupKey PDB_DEDUCE_BOND_ORDERS_FROM_CONECT_RECORDS
Specifies whether to deduce bond orders from the duplication pattern of bonded atom pairs in CONECT r...
CDPL_BIOMOL_API const Base::LookupKey PERCEIVE_MISSING_BOND_ORDERS
Specifies whether to perceive bond orders for bonds whose order could not be obtained from the input ...
CDPL_BIOMOL_API const Base::LookupKey RESIDUE_DICTIONARY
Specifies the residue dictionary consulted during PDB and mmCIF I/O when looking up canonical residue...
CDPL_BIOMOL_API const Base::LookupKey PDB_APPLY_DICT_ATOM_BONDING_TO_NON_STD_RESIDUES
Specifies whether to use the residue dictionary to derive atom-bonding for atoms of non-standard resi...
CDPL_BIOMOL_API const Base::LookupKey PDB_OUTPUT_CONECT_RECORDS_REFLECTING_BOND_ORDER
Specifies whether CONECT records shall encode the bond order via the duplication count of bonded atom...
CDPL_BIOMOL_API const Base::LookupKey PDB_APPLY_DICT_BOND_ORDERS_TO_STD_RESIDUES
Specifies whether to apply the residue-dictionary bond orders to bonds of standard residues when read...
CDPL_BIOMOL_API const Base::LookupKey PDB_OUTPUT_FORMAL_CHARGES
Specifies whether to write the formal-charge field of ATOM/HETATM records when generating PDB output.
CDPL_BIOMOL_API const Base::LookupKey CALC_MISSING_FORMAL_CHARGES
Specifies whether to calculate formal atomic charges for atoms whose charge could not be obtained fro...
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 writi...
CDPL_BIOMOL_API const Base::LookupKey PDB_APPLY_DICT_BOND_ORDERS_TO_NON_STD_RESIDUES
Specifies whether to apply the residue-dictionary bond orders to bonds of non-standard residues when ...
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