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/* |
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* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project |
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* |
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* Contact: oopse@oopse.org |
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* |
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* This program is free software; you can redistribute it and/or |
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* modify it under the terms of the GNU Lesser General Public License |
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* as published by the Free Software Foundation; either version 2.1 |
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* of the License, or (at your option) any later version. |
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* All we ask is that proper credit is given for our work, which includes |
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* - but is not limited to - adding the above copyright notice to the beginning |
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* of your source code files, and to any copyright notice that you may distribute |
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* with programs based on this work. |
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* |
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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 Lesser General Public License for more details. |
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* |
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* You should have received a copy of the GNU Lesser General Public License |
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* along with this program; if not, write to the Free Software |
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* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. |
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* |
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*/ |
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|
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/** |
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* @file Snapshot.cpp |
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* @author tlin |
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* @date 11/11/2004 |
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* @time 10:56am |
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* @version 1.0 |
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*/ |
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|
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#include "brains/Snapshot.hpp" |
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#include "utils/Utility.hpp" |
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|
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namespace oopse { |
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|
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void Snapshot::wrapVector(Vector3d& pos) { |
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|
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int i; |
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Vector3d scaled; |
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|
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if( !orthoRhombic_ ){ |
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|
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// calc the scaled coordinates. |
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scaled = invHmat_* pos; |
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|
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// wrap the scaled coordinates |
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for (i = 0; i < 3; ++i) { |
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scaled[i] -= roundMe(scaled[i]); |
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} |
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|
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// calc the wrapped real coordinates from the wrapped scaled coordinates |
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pos = hmat_ * scaled; |
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|
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} else {//if it is orthoRhombic, we could improve efficiency by only caculating the diagonal element |
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|
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// calc the scaled coordinates. |
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for (i=0; i<3; i++) { |
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scaled[i] = pos[i] * invHmat_(i, i); |
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} |
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|
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// wrap the scaled coordinates |
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for (i = 0; i < 3; ++i) { |
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scaled[i] -= roundMe(scaled[i]); |
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} |
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|
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// calc the wrapped real coordinates from the wrapped scaled coordinates |
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for (i=0; i<3; i++) { |
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pos[i] = scaled[i] * hmat_(i, i); |
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} |
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|
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} |
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|
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} |
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|
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} |
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