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/*****************************************************************************
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TRAVIS - Trajectory Analyzer and Visualizer
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http://www.travis-analyzer.de/
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Copyright (c) 2009-2013 Martin Brehm
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2012-2013 Martin Thomas
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This file written by Martin Thomas.
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This program is free software: you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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(at your option) any later version.
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This program is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License
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along with this program. If not, see <http://www.gnu.org/licenses/>.
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*****************************************************************************/
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class CRegion: public CxObject
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unsigned char centerAtomType(int index) const { return _centerAtomTypes[index]; }
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unsigned char centerAtomRealType(int index) const { return _centerAtomRealTypes[index]; }
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unsigned char centerAtom(int index) const { return _centerAtoms[index]; }
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bool isInRegion(const CxVector3 &vector);
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unsigned char *_centerAtomTypes;
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unsigned char *_centerAtomRealTypes;
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unsigned char *_centerAtoms;
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bool gatherRegionAnalysis();
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void processRegionAnalysis(CTimeStep *ts);
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void finalizeRegionAnalysis();
1
/*****************************************************************************
2
TRAVIS - Trajectory Analyzer and Visualizer
3
http://www.travis-analyzer.de/
5
Copyright (c) 2009-2014 Martin Brehm
6
2012-2014 Martin Thomas
8
This file written by Martin Thomas.
10
This program is free software: you can redistribute it and/or modify
11
it under the terms of the GNU General Public License as published by
12
the Free Software Foundation, either version 3 of the License, or
13
(at your option) any later version.
15
This program is distributed in the hope that it will be useful,
16
but WITHOUT ANY WARRANTY; without even the implied warranty of
17
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18
GNU General Public License for more details.
20
You should have received a copy of the GNU General Public License
21
along with this program. If not, see <http://www.gnu.org/licenses/>.
22
*****************************************************************************/
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class CRegion: public CxObject
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unsigned char centerAtomType(int index) const { return _centerAtomTypes[index]; }
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unsigned char centerAtomRealType(int index) const { return _centerAtomRealTypes[index]; }
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unsigned char centerAtom(int index) const { return _centerAtoms[index]; }
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bool isInRegion(const CxVector3 &vector);
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unsigned char *_centerAtomTypes;
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unsigned char *_centerAtomRealTypes;
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unsigned char *_centerAtoms;
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bool gatherRegionAnalysis();
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void processRegionAnalysis(CTimeStep *ts);
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void finalizeRegionAnalysis();