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/****************************************************************************
* Copyright (C) from 2009 to Present EPAM Systems.
*
* This file is part of Indigo toolkit.
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
***************************************************************************/
#ifndef __layout_pattern_h__
#define __layout_pattern_h__
#include "base_c/defs.h"
#include "base_cpp/array.h"
#include "graph/graph.h"
#include "math/algebra.h"
#ifdef _WIN32
#pragma warning(push)
#pragma warning(disable : 4251)
#endif
namespace indigo
{
struct PatternAtom
{
explicit PatternAtom(Vec2f pos_) : pos(pos_)
{
}
Vec2f pos;
};
struct PatternBond
{
explicit PatternBond(int type_) : type(type_), parity(0)
{
}
int type; // see BOND_***
int parity;
};
class DLLEXPORT PatternLayout : public Graph
{
public:
explicit PatternLayout();
virtual ~PatternLayout();
int addBond(int atom_beg, int atom_end, int type);
int addAtom(float x, float y);
int addOutlinePoint(float x, float y);
bool isFixed() const
{
return _fixed;
}
void fix()
{
_fixed = true;
}
void setName(const char* name)
{
_name.readString(name, true);
}
const char* getName() const
{
return _name.ptr();
}
void calcMorganCode();
long morganCode() const
{
return _morgan_code;
}
const PatternAtom& getAtom(int idx) const;
const PatternBond& getBond(int idx) const;
const Array<Vec2f>& getOutline() const
{
return _outline;
}
DECL_ERROR;
protected:
Array<PatternAtom> _atoms;
Array<PatternBond> _bonds;
Array<Vec2f> _outline;
Array<char> _name;
long _morgan_code;
bool _fixed;
// no implicit copy
PatternLayout(const PatternLayout&);
};
} // namespace indigo
#ifdef _WIN32
#pragma warning(pop)
#endif
#endif
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