source: src/Actions/MoleculeAction/LoadAction.hpp@ ad011c

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Last change on this file since ad011c 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: 261 bytes
Line 
1/*
2 * LoadXyzAction.hpp
3 *
4 * Created on: May 8, 2010
5 * Author: heber
6 */
7
8#ifndef LOADXYZACTION_HPP_
9#define LOADXYZACTION_HPP_
10
11#include "Actions/Action.hpp"
12
13#include "LoadAction.def"
14#include "Action_impl_header.hpp"
15
16#endif /* LOADXYZACTION_HPP_ */
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