source: src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.def

Candidate_v1.6.1
Last change on this file was d20335, checked in by Frederik Heber <heber@…>, 8 years ago

Removed parsing and saving of fragment results in analyse-fragment-results and fragmentation-automation.

  • TESTFIX: regression test analyse-fragment-results now needs to call parse-fragment-results before analysis.
  • Property mode set to 100644
File size: 1.5 KB
Line 
1/*
2 * AnalyseFragmentationResultsAction.def
3 *
4 * Created on: Mar 8, 2013
5 * Author: heber
6 */
7
8// all includes and forward declarations necessary for non-integral types below
9#include <boost/filesystem/path.hpp>
10#include <string>
11
12#include "Parameters/Validators/DummyValidator.hpp"
13
14// i.e. there is an integer with variable name Z that can be found in
15// ValueStorage by the token "Z" -> first column: int, Z, "Z"
16// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
17#define paramtypes (bool)(std::string)(bool)
18#define paramtokens ("store-grids")("fragment-prefix")("UseImplicitCharges")
19#define paramdescriptions ("whether to store sampled grids in homology files")("prefix of each fragment file")("whether to model any non-selected atoms by partial charges implicitly")
20#define paramdefaults (PARAM_DEFAULT("0"))(PARAM_DEFAULT("BondFragment"))(PARAM_DEFAULT("0"))
21#define paramreferences (DoStoreGrids)(prefix)(UseImplicitCharges)
22#define paramvalids \
23(DummyValidator< bool >()) \
24(DummyValidator< std::string >()) \
25(DummyValidator< bool >())
26
27#undef statetypes
28#undef statereferences
29
30// some defines for all the names, you may use ACTION, STATE and PARAMS
31#define CATEGORY Fragmentation
32#define MENUNAME "fragmentation"
33#define MENUPOSITION 4
34#define ACTIONNAME AnalyseFragmentationResults
35#define TOKEN "analyse-fragment-results"
36
37
38// finally the information stored in the ActionTrait specialization
39#define DESCRIPTION "analyses previously calculated results"
40#undef SHORTFORM
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