The Gnome Chemistry Utils
0.13.6
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00001 // -*- C++ -*- 00002 00003 /* 00004 * GChemPaint library 00005 * bond.h 00006 * 00007 * Copyright (C) 2001-2012 Jean Bréfort <jean.brefort@normalesup.org> 00008 * 00009 * This program is free software; you can redistribute it and/or 00010 * modify it under the terms of the GNU General Public License as 00011 * published by the Free Software Foundation; either version 2 of the 00012 * License, or (at your option) any later version. 00013 * 00014 * This program is distributed in the hope that it will be useful, 00015 * but WITHOUT ANY WARRANTY; without even the implied warranty of 00016 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00017 * GNU General Public License for more details. 00018 * 00019 * You should have received a copy of the GNU General Public License 00020 * along with this program; if not, write to the Free Software 00021 * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 00022 * USA 00023 */ 00024 00025 #ifndef GCHEMPAINT_BOND_H 00026 #define GCHEMPAINT_BOND_H 00027 00030 #include <gccv/item-client.h> 00031 #include <gcu/bond.h> 00032 #include <list> 00033 00034 namespace gcu { 00035 class UIManager; 00036 } 00037 00038 namespace gcp { 00039 00049 typedef enum 00050 { 00051 NormalBondType, 00052 UpBondType, 00053 DownBondType, 00054 ForeBondType, 00055 UndeterminedBondType, 00056 NewmanBondType 00057 } BondType; 00058 00063 typedef struct { 00067 double a; 00071 bool is_before; 00072 } BondCrossing; 00073 00074 class Atom; 00075 class WidgetData; 00076 00081 class Bond: public gcu::Bond, public gccv::ItemClient 00082 { 00083 public: 00087 Bond (); 00095 Bond (Atom* first, Atom* last, unsigned char order); 00099 virtual ~Bond (); 00100 00109 Object* GetAtomAt (double x, double y, double z = 0.); 00113 BondType GetType() const {return m_type;} 00119 void SetType (BondType type); 00126 double GetAngle2D (Atom* pAtom); 00132 void AddCycle (gcu::Cycle* pCycle); 00138 void RemoveCycle (gcu::Cycle* pCycle); 00142 void RemoveAllCycles (); 00154 bool GetLine2DCoords (unsigned Num, double* x1, double* y1, double* x2, double* y2); 00162 virtual bool SaveNode (xmlDocPtr xml, xmlNodePtr node) const; 00168 bool LoadNode (xmlNodePtr node); 00177 void Move (double x, double y, double z = 0); 00187 void Transform2D (gcu::Matrix2D& m, double x, double y); 00197 double GetDist (double x, double y); 00202 void SetDirty (); 00206 void Revert (); 00213 void IncOrder (int n = 1); 00217 void AddItem (); 00221 void UpdateItem (); 00229 void SetSelected (int state); 00234 double GetYAlign (); 00242 bool IsCrossing (Bond *pBond); 00251 bool BuildContextualMenu (gcu::UIManager *UIManager, Object *object, double x, double y); 00255 void MoveToBack (); 00259 void BringToFront (); 00266 std::string GetProperty (unsigned property) const; 00275 bool SetProperty (unsigned property, char const *value); 00276 00285 void AdjustPosition (double &x, double &y); 00286 00290 void OnLoaded (); 00291 00292 private: 00293 // GnomeCanvasPathDef* BuildPathDef (WidgetData* pData); 00294 // GnomeCanvasPathDef* BuildCrossingPathDef (WidgetData* pData); 00295 BondType m_type; 00296 double m_coords[16];//coordinates of the lines used to represent the bond in the canvas 00297 bool m_CoordsCalc; //true if m_coords have been calculated, false else 00298 std::map<Bond*, BondCrossing> m_Crossing; 00299 int m_level; // to know which bond should be considered front 00300 }; 00301 00302 } // namespace gcp 00303 00304 #endif // GCHEMPAINT_BOND_H