1 /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
2    Copyright (c) 2011-2021 The plumed team
3    (see the PEOPLE file at the root of the distribution for a list of names)
4 
5    See http://www.plumed.org for more information.
6 
7    This file is part of plumed, version 2.
8 
9    plumed is free software: you can redistribute it and/or modify
10    it under the terms of the GNU Lesser General Public License as published by
11    the Free Software Foundation, either version 3 of the License, or
12    (at your option) any later version.
13 
14    plumed 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 Lesser General Public License for more details.
18 
19    You should have received a copy of the GNU Lesser General Public License
20    along with plumed.  If not, see <http://www.gnu.org/licenses/>.
21 +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
22 #ifndef __PLUMED_tools_Angle_h
23 #define __PLUMED_tools_Angle_h
24 
25 #include "Vector.h"
26 
27 namespace PLMD {
28 
29 /// \ingroup TOOLBOX
30 /// Class to compute angles.
31 /// I define it as a class even if it does not contain anything. The reason
32 /// is that in the future I would like to extend it to contain options about
33 /// how the calculation should be done. So, for now use it as
34 /// Angle a;
35 /// double angle=a.compute(v1,v2);
36 /// I know it is a bit misleading. If we really do not need to store "options"
37 /// inside the Angle class, we can remove it later and write compute as
38 /// a static function.
39 class Angle {
40 // still empty, but may accommodate some options in the future
41 public:
42 /// Compute the angle between vectors v1 and v2
43   double compute(const Vector& v1,const Vector& v2)const;
44 /// Compute the angle between vectors v1 and v2 and its derivatives wrt v1 and v2
45   double compute(const Vector& v1,const Vector& v2,Vector& d1,Vector& d2)const;
46 };
47 
48 }
49 
50 #endif
51