source: src/Actions/WorldAction/ScaleBoxAction.def@ cabb46

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Last change on this file since cabb46 was cabb46, checked in by Frederik Heber <heber@…>, 14 years ago

Extended LoadXyz and SaveXyz to any format.

Testchanges:

  • copied all from Simple_configuration/2/pre to ./post.
  • changes to test.conf:

MaxPsiStep (if 0 given, then 3 is set).
MaxMinGapStopStep (if 0 given, then 1 is set).
InitMaxMinGapStopStep (if 0 given, then 1 is set).

  • changes to test.pdb:

segName is tes (from _tes_t.pdb) not non.
Obtaining molecule names from pdb file's segName is not implemented yet.

  • ParserCommonUnitTest::rewriteAnXyzTest(), we don't check for string equality but parse the output stream again and check whether first and second half of all atoms are equal with respect to position and element.
  • all regression test that diff an xyz file now use -I '.*Created by....*'
  • changed regression tests with respect to changed short forms.
  • Property mode set to 100644
File size: 1021 bytes
Line 
1/*
2 * ScaleBoxAction.def
3 *
4 * Created on: Aug 26, 2010
5 * Author: heber
6 */
7
8// all includes and forward declarations necessary for non-integral types below
9#include "Actions/Values.hpp"
10#include "LinearAlgebra/Vector.hpp"
11
12// i.e. there is an integer with variable name Z that can be found in
13// ValueStorage by the token "Z" -> first column: int, Z, "Z"
14// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
15#define paramtypes (Vector)
16#define paramtokens ("scale-box")
17#define paramdescriptions ("scaling factor for each axis")
18#undef paramdefaults
19#define paramreferences (Scaler)
20
21#undef statetypes
22#undef statereferences
23
24// some defines for all the names, you may use ACTION, STATE and PARAMS
25#define CATEGORY World
26#define MENUNAME "world"
27#define MENUPOSITION 9
28#define ACTIONNAME ScaleBox
29#define TOKEN "scale-box"
30
31
32// finally the information stored in the ActionTrait specialization
33#define DESCRIPTION "scale box and atomic positions inside"
34#undef SHORTFORM
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