ForceAnnealing_goodresults
ForceAnnealing_tocheck
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Last change
on this file since a2a8de was 78202b, checked in by Frederik Heber <heber@…>, 9 years ago |
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Adding potential action to parse and save atom fragment associations.
- Made KeySet serializable.
- added documentation on save and parse atom fragments.
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-
Property mode
set to
100644
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File size:
1.2 KB
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| [78202b] | 1 | /*
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| 2 | * ParseAtomFragmentsAction.def
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| 3 | *
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| 4 | * Created on: Mar 07, 2016
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | // all includes and forward declarations necessary for non-integral types below
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| 9 | #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
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| 10 |
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| 11 | // i.e. there is an integer with variable name Z that can be found in
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| 12 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| 13 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| 14 | #define paramtypes (boost::filesystem::path)
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| 15 | #define paramtokens ("parse-atom-fragments")
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| 16 | #define paramdescriptions ("path to file containing atom fragments association container to parse")
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| 17 | #define paramdefaults (NOPARAM_DEFAULT)
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| 18 | #define paramreferences (atomfragments_file)
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| 19 | #define paramvalids \
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| 20 | (FilePresentValidator())
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| 21 |
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| 22 | #undef statetypes
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| 23 | #undef statereferences
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| 24 |
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| 25 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 26 | #define CATEGORY Potential
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| 27 | #define MENUNAME "potential"
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| 28 | #define MENUPOSITION 1
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| 29 | #define ACTIONNAME ParseAtomFragments
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| 30 | #define TOKEN "parse-atom-fragments"
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| 31 |
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| 32 |
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| 33 | // finally the information stored in the ActionTrait specialization
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| 34 | #define DESCRIPTION "parses atom fragments association present in a file into World's container"
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| 35 | #undef SHORTFORM
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