The Gnome Chemistry Utils  0.12.13
gcp/bond.h
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1 // -*- C++ -*-
2 
3 /*
4  * GChemPaint library
5  * bond.h
6  *
7  * Copyright (C) 2001-2008 Jean Bréfort <jean.brefort@normalesup.org>
8  *
9  * This program is free software; you can redistribute it and/or
10  * modify it under the terms of the GNU General Public License as
11  * published by the Free Software Foundation; either version 2 of the
12  * License, or (at your option) any later version.
13  *
14  * This program is distributed in the hope that it will be useful,
15  * but WITHOUT ANY WARRANTY; without even the implied warranty of
16  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
17  * GNU General Public License for more details.
18  *
19  * You should have received a copy of the GNU General Public License
20  * along with this program; if not, write to the Free Software
21  * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301
22  * USA
23  */
24 
25 #ifndef GCHEMPAINT_BOND_H
26 #define GCHEMPAINT_BOND_H
27 
30 #include <gccv/item-client.h>
31 #include <gcu/bond.h>
32 #include <list>
33 
34 namespace gcp {
35 
44 typedef enum
45 {
46  NormalBondType,
47  UpBondType,
48  DownBondType,
49  ForeBondType,
50  UndeterminedBondType
51 } BondType;
52 
57 typedef struct {
61  double a;
65  bool is_before;
66 } BondCrossing;
67 
68 class Atom;
69 class WidgetData;
70 
75 class Bond: public gcu::Bond, public gccv::ItemClient
76 {
77 public:
81  Bond ();
89  Bond (Atom* first, Atom* last, unsigned char order);
93  virtual ~Bond ();
94 
103  Object* GetAtomAt (double x, double y, double z = 0.);
107  BondType GetType() const {return m_type;}
113  void SetType (BondType type);
120  double GetAngle2D (Atom* pAtom);
126  void AddCycle (gcu::Cycle* pCycle);
132  void RemoveCycle (gcu::Cycle* pCycle);
136  void RemoveAllCycles ();
148  bool GetLine2DCoords (unsigned Num, double* x1, double* y1, double* x2, double* y2);
156  virtual bool SaveNode (xmlDocPtr xml, xmlNodePtr node) const;
162  bool LoadNode (xmlNodePtr node);
171  void Move (double x, double y, double z = 0);
181  void Transform2D (gcu::Matrix2D& m, double x, double y);
191  double GetDist (double x, double y);
196  void SetDirty ();
200  void Revert ();
207  void IncOrder (int n = 1);
211  void AddItem ();
215  void UpdateItem ();
223  void SetSelected (int state);
228  double GetYAlign ();
236  bool IsCrossing (Bond *pBond);
245  bool BuildContextualMenu (GtkUIManager *UIManager, Object *object, double x, double y);
249  void MoveToBack ();
253  void BringToFront ();
260  std::string GetProperty (unsigned property) const;
269  bool SetProperty (unsigned property, char const *value);
270 
279  void AdjustPosition (double &x, double &y);
280 
281 private:
282 // GnomeCanvasPathDef* BuildPathDef (WidgetData* pData);
283 // GnomeCanvasPathDef* BuildCrossingPathDef (WidgetData* pData);
284  BondType m_type;
285  double m_coords[16];//coordinates of the lines used to represent the bond in the canvas
286  bool m_CoordsCalc; //true if m_coords have been calculated, false else
287  std::map<Bond*, BondCrossing> m_Crossing;
288  int m_level; // to know which bond should be considered front
289 };
290 
291 } // namespace gcp
292 
293 #endif // GCHEMPAINT_BOND_H