ForceAnnealing_oldresults
IndependentFragmentGrids_IntegrationTest
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Last change
on this file since effdea was 2affd1, checked in by Frederik Heber <heber@…>, 9 years ago |
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Removed molecules_deprecated from World and unnecessary includes of MoleculeListClass and all insert/erase.
- this goes along the lines of removing "remove me when we don't need
MoleculeCistClass anymore".
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-
Property mode
set to
100644
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File size:
1.1 KB
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| [1fd675] | 1 | /*
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| 2 | * SaveBondsAction.def
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| 3 | *
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| 4 | * Created on: Aug 26, 2010
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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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| [23958d] | 9 | #include "Parameters/Validators/Ops_Validator.hpp"
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| 10 | #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
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| [649aaa] | 11 |
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| [1fd675] | 12 | // i.e. there is an integer with variable name Z that can be found in
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| 13 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| [6ba9ba] | 14 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| [e4afb4] | 15 | #define paramtypes (boost::filesystem::path)
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| [d57341] | 16 | #define paramtokens ("save-bonds")
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| [fc192f] | 17 | #define paramdescriptions ("name of the bonds file to write to")
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| [e4afb4] | 18 | #undef paramdefaults
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| [1fd675] | 19 | #define paramreferences (bondsfile)
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| [23958d] | 20 | #define paramvalids \
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| 21 | (!FilePresentValidator())
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| [1fd675] | 22 |
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| 23 | #undef statetypes
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| 24 | #undef statereferences
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| 25 |
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| 26 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 27 | #define CATEGORY Molecule
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| [052bfd8] | 28 | #define MENUNAME "molecule"
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| 29 | #define MENUPOSITION 11
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| [1fd675] | 30 | #define ACTIONNAME SaveBonds
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| 31 | #define TOKEN "save-bonds"
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| 32 |
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| [24fbf3] | 33 |
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| 34 | // finally the information stored in the ActionTrait specialization
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| [e4afb4] | 35 | #define DESCRIPTION "save bonds to dbond type file"
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| [24fbf3] | 36 | #define SHORTFORM "j"
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