mirror of https://github.com/CGAL/cgal
52 lines
1.9 KiB
C++
52 lines
1.9 KiB
C++
/* Copyright 2004
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Stanford University
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This file is part of the DSR PDB Library.
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The DSR PDB Library 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 by
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the Free Software Foundation; either version 2.1 of the License, or (at your
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option) any later version.
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The DSR PDB Library is distributed in the hope that it will be useful, but
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WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
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or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public
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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 the DSR PDB Library; see the file LICENSE.LGPL. If not, write to
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the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston,
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MA 02110-1301, USA. */
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#include <CGAL/PDB/Atom.h>
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#include <CGAL/PDB/internal/Error_logger.h>
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#include <cstring>
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#include <sstream>
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#include <limits>
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CGAL_PDB_BEGIN_NAMESPACE
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static double nan__=std::numeric_limits<double>::signaling_NaN();
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//enum Type {INVALID=0, C,N,H,O, S, FE, PT};
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// Taken from the wikipedia, so don't trust them too much.
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double Atom::radii_[]={0, 1.70, 1.55, 1.20, 1.52, 1.85, 1.10, 1.75, nan__, nan__, nan__, nan__};
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Atom::Type Atom::string_to_type(const char *cp) {
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if (std::strchr(cp, 'C') != NULL) return C;
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else if (std::strchr(cp,'N') != NULL) return N;
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else if (std::strchr(cp,'S') != NULL) return S;
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else if (std::strchr(cp,'O') != NULL) return O;
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else if (std::strchr(cp,'H') != NULL) return H;
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else if (std::strstr(cp,"FE") != NULL) return FE;
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else if (std::strstr(cp,"P") != NULL) return P;
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else if (std::strstr(cp,"PT") != NULL) return PT;
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else {
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std::ostringstream em;
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em << "Couldn't parse atom type of " << cp;
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CGAL_PDB_INTERNAL_NS::error_logger.new_warning(em.str().c_str());
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return INVALID;
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}
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}
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CGAL_PDB_END_NAMESPACE
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