The Gnome Chemistry Utils
0.12.11
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00001 // -*- C++ -*- 00002 00003 /* 00004 * GChemPaint library 00005 * bond.h 00006 * 00007 * Copyright (C) 2001-2008 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 gcp { 00035 00044 typedef enum 00045 { 00046 NormalBondType, 00047 UpBondType, 00048 DownBondType, 00049 ForeBondType, 00050 UndeterminedBondType 00051 } BondType; 00052 00057 typedef struct { 00061 double a; 00065 bool is_before; 00066 } BondCrossing; 00067 00068 class Atom; 00069 class WidgetData; 00070 00075 class Bond: public gcu::Bond, public gccv::ItemClient 00076 { 00077 public: 00081 Bond (); 00089 Bond (Atom* first, Atom* last, unsigned char order); 00093 virtual ~Bond (); 00094 00103 Object* GetAtomAt (double x, double y, double z = 0.); 00107 BondType GetType() const {return m_type;} 00113 void SetType (BondType type); 00120 double GetAngle2D (Atom* pAtom); 00126 void AddCycle (gcu::Cycle* pCycle); 00132 void RemoveCycle (gcu::Cycle* pCycle); 00136 void RemoveAllCycles (); 00148 bool GetLine2DCoords (unsigned Num, double* x1, double* y1, double* x2, double* y2); 00156 virtual bool SaveNode (xmlDocPtr xml, xmlNodePtr node) const; 00162 bool LoadNode (xmlNodePtr node); 00171 void Move (double x, double y, double z = 0); 00181 void Transform2D (gcu::Matrix2D& m, double x, double y); 00191 double GetDist (double x, double y); 00196 void SetDirty (); 00200 void Revert (); 00207 void IncOrder (int n = 1); 00211 void AddItem (); 00215 void UpdateItem (); 00223 void SetSelected (int state); 00228 double GetYAlign (); 00236 bool IsCrossing (Bond *pBond); 00245 bool BuildContextualMenu (GtkUIManager *UIManager, Object *object, double x, double y); 00249 void MoveToBack (); 00253 void BringToFront (); 00260 std::string GetProperty (unsigned property) const; 00269 bool SetProperty (unsigned property, char const *value); 00270 00279 void AdjustPosition (double &x, double &y); 00280 00281 private: 00282 // GnomeCanvasPathDef* BuildPathDef (WidgetData* pData); 00283 // GnomeCanvasPathDef* BuildCrossingPathDef (WidgetData* pData); 00284 BondType m_type; 00285 double m_coords[16];//coordinates of the lines used to represent the bond in the canvas 00286 bool m_CoordsCalc; //true if m_coords have been calculated, false else 00287 std::map<Bond*, BondCrossing> m_Crossing; 00288 int m_level; // to know which bond should be considered front 00289 }; 00290 00291 } // namespace gcp 00292 00293 #endif // GCHEMPAINT_BOND_H