Candidate_v1.6.1
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
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Last change
on this file since 06536b was 41a467, checked in by Frederik Heber <heber@…>, 13 years ago |
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LARGE: config class is now just a tiny container.
- this was loooooobg overdue. Config.cpp contained remnants from parsing pcp
files and much else. Also fragmentation depended on it. Since refactoring
of MoleculeListClass and the fragmentation, we don't need it anymore.
- helper functions ParseForParameters(), LoadMolecule() extracted into new
module PcpParser_helper.
- config class now just contains 4 variables that are generally required
(especially IsAngstroem) and they should probably remain with the world.
- removed some places where config.hpp was no unnecessarily included.
- Moved ConfigFileBuffer.* over to subfolder src/Parser/ where it rather
belongs (associated with PcpParser).
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Property mode
set to
100644
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File size:
483 bytes
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| 1 | /*
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| 2 | * config.hpp
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| 3 | *
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| 4 | * Created on: Aug 3, 2009
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef CONFIG_HPP_
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| 9 | #define CONFIG_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 | /** The config file.
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| 17 | * The class contains some general parameters.
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| 18 | */
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| 19 | class config {
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| 20 | public:
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| 21 | config();
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| 22 | ~config();
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| 23 |
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| 24 | char *databasepath;
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| 25 | char *defaultpath;
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| 26 | bool FastParsing;
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| 27 | int IsAngstroem;
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| 28 | double Deltat;
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| 29 |
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| 30 | bool GetIsAngstroem() const;
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| 31 | };
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| 32 |
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| 33 |
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| 34 | #endif /* CONFIG_HPP_ */
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