mirror of
https://github.com/rdkit/rdkit.git
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c046d9abaa
- flattened out the structure (cpp and h files are in one directory), - changed includes to be #include <Shape/xxx.h>, - removed openbabel dependancies
48 lines
1.3 KiB
C++
48 lines
1.3 KiB
C++
/*******************************************************************************
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alignmentInfo.cpp - Shape-it
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Copyright 2012 by Silicos-it, a division of Imacosi BVBA
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This file is part of Shape-it.
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Shape-it is free software: you can redistribute it and/or modify
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it under the terms of the GNU Lesser General Public License as published
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by 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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Shape-it 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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You should have received a copy of the GNU Lesser General Public License
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along with Shape-it. If not, see <http://www.gnu.org/licenses/>.
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Shape-it is linked against OpenBabel version 2.
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OpenBabel 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 version 2 of the License.
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***********************************************************************/
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#include <Shape/alignmentInfo.h>
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AlignmentInfo::AlignmentInfo(void)
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: overlap(0.0)
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, rotor(4, 0.0)
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{
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rotor[0] = 1.0;
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}
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AlignmentInfo::~AlignmentInfo(void)
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{
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}
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