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86 lines
2.2 KiB
C++
86 lines
2.2 KiB
C++
// $Id$
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//
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// Copyright (c) 2005-2008 greg Landrum and Rational Discovery LLC
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//
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// @@ All Rights Reserved @@
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// This file is part of the RDKit.
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// The contents are covered by the terms of the BSD license
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// which is included in the file license.txt, found at the root
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// of the RDKit source tree.
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//
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#include "FreeChemicalFeature.h"
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#include <RDGeneral/StreamOps.h>
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#include <sstream>
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#include <cstdint>
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namespace ChemicalFeatures {
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using namespace RDKit;
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using std::int32_t;
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using std::uint32_t;
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const int ci_FEAT_VERSION = 0x0020; //!< version number to use in pickles
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std::string FreeChemicalFeature::toString() const {
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std::stringstream ss(std::ios_base::binary | std::ios_base::out |
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std::ios_base::in);
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uint32_t tInt = ci_FEAT_VERSION;
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streamWrite(ss, tInt);
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// write the id
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streamWrite(ss, d_id);
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tInt = static_cast<uint32_t>(d_family.size() + 1);
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streamWrite(ss, tInt);
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ss.write(d_family.c_str(), tInt * sizeof(char));
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tInt = static_cast<uint32_t>(d_type.size() + 1);
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streamWrite(ss, tInt);
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ss.write(d_type.c_str(), tInt * sizeof(char));
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streamWrite(ss, d_position.x);
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streamWrite(ss, d_position.y);
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streamWrite(ss, d_position.z);
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std::string res(ss.str());
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return res;
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};
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void FreeChemicalFeature::initFromString(const std::string &pickle) {
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std::stringstream ss(
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pickle, std::ios_base::binary | std::ios_base::in | std::ios_base::out);
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int version = 0;
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uint32_t tInt;
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streamRead(ss, tInt);
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switch (tInt) {
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case 0x0010:
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version = 1;
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break;
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case 0x0020: // ok, I know this is not 2, in hex its 32 but I just want to
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// keep consistent with the above
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version = 2;
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break;
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default:
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throw("Unknown version type for FreeChemicalFeature");
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}
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// read the id, but only if a later/newish version
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if (version == 2) {
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streamRead(ss, d_id);
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}
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char *tmpChr;
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streamRead(ss, tInt);
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tmpChr = new char[tInt];
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ss.read(tmpChr, tInt * sizeof(char));
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d_family = tmpChr;
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delete[] tmpChr;
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streamRead(ss, tInt);
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tmpChr = new char[tInt];
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ss.read(tmpChr, tInt * sizeof(char));
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d_type = tmpChr;
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delete[] tmpChr;
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streamRead(ss, d_position.x);
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streamRead(ss, d_position.y);
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streamRead(ss, d_position.z);
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};
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}
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