The Gnome Chemistry Utils 0.13.3
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00001 // -*- C++ -*- 00002 00003 /* 00004 * GChemPaint library 00005 * bond.h 00006 * 00007 * Copyright (C) 2001-2011 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 00048 typedef enum 00049 { 00050 NormalBondType, 00051 UpBondType, 00052 DownBondType, 00053 ForeBondType, 00054 UndeterminedBondType 00055 } BondType; 00056 00061 typedef struct { 00065 double a; 00069 bool is_before; 00070 } BondCrossing; 00071 00072 class Atom; 00073 class WidgetData; 00074 00079 class Bond: public gcu::Bond, public gccv::ItemClient 00080 { 00081 public: 00085 Bond (); 00093 Bond (Atom* first, Atom* last, unsigned char order); 00097 virtual ~Bond (); 00098 00107 Object* GetAtomAt (double x, double y, double z = 0.); 00111 BondType GetType() const {return m_type;} 00117 void SetType (BondType type); 00124 double GetAngle2D (Atom* pAtom); 00130 void AddCycle (gcu::Cycle* pCycle); 00136 void RemoveCycle (gcu::Cycle* pCycle); 00140 void RemoveAllCycles (); 00152 bool GetLine2DCoords (unsigned Num, double* x1, double* y1, double* x2, double* y2); 00160 virtual bool SaveNode (xmlDocPtr xml, xmlNodePtr node) const; 00166 bool LoadNode (xmlNodePtr node); 00175 void Move (double x, double y, double z = 0); 00185 void Transform2D (gcu::Matrix2D& m, double x, double y); 00195 double GetDist (double x, double y); 00200 void SetDirty (); 00204 void Revert (); 00211 void IncOrder (int n = 1); 00215 void AddItem (); 00219 void UpdateItem (); 00227 void SetSelected (int state); 00232 double GetYAlign (); 00240 bool IsCrossing (Bond *pBond); 00249 bool BuildContextualMenu (gcu::UIManager *UIManager, Object *object, double x, double y); 00253 void MoveToBack (); 00257 void BringToFront (); 00264 std::string GetProperty (unsigned property) const; 00273 bool SetProperty (unsigned property, char const *value); 00274 00283 void AdjustPosition (double &x, double &y); 00284 00288 void OnLoaded (); 00289 00290 private: 00291 // GnomeCanvasPathDef* BuildPathDef (WidgetData* pData); 00292 // GnomeCanvasPathDef* BuildCrossingPathDef (WidgetData* pData); 00293 BondType m_type; 00294 double m_coords[16];//coordinates of the lines used to represent the bond in the canvas 00295 bool m_CoordsCalc; //true if m_coords have been calculated, false else 00296 std::map<Bond*, BondCrossing> m_Crossing; 00297 int m_level; // to know which bond should be considered front 00298 }; 00299 00300 } // namespace gcp 00301 00302 #endif // GCHEMPAINT_BOND_H