MPQC  2.3.1
volume.h
1 //
2 // volume.h
3 //
4 // Copyright (C) 1996 Limit Point Systems, Inc.
5 //
6 // Author: Curtis Janssen <cljanss@limitpt.com>
7 // Maintainer: LPS
8 //
9 // This file is part of the SC Toolkit.
10 //
11 // The SC Toolkit is free software; you can redistribute it and/or modify
12 // it under the terms of the GNU Library General Public License as published by
13 // the Free Software Foundation; either version 2, or (at your option)
14 // any later version.
15 //
16 // The SC Toolkit is distributed in the hope that it will be useful,
17 // but WITHOUT ANY WARRANTY; without even the implied warranty of
18 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19 // GNU Library General Public License for more details.
20 //
21 // You should have received a copy of the GNU Library General Public License
22 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24 //
25 // The U.S. Government is granted a limited license as per AL 91-7.
26 //
27 
28 #ifndef _math_isosurf_volume_h
29 #define _math_isosurf_volume_h
30 
31 #ifdef __GNUC__
32 #pragma interface
33 #endif
34 
35 #include <math/optimize/function.h>
36 #include <math/scmat/matrix.h>
37 #include <math/scmat/vector3.h>
38 
39 namespace sc {
40 
42 class Volume: public Function {
43  private:
44  double _interp_acc;
45  protected:
46  double& interpolation_accuracy();
47 
48  virtual void compute() = 0;
49 
50  virtual void failure(const char*);
51  public:
52  Volume();
53  Volume(const Ref<KeyVal>&);
54  ~Volume();
55 
56  void set_gradient(const SCVector3& g);
57  void set_gradient(RefSCVector& g);
58  void get_gradient(SCVector3& g);
59  void set_x(const SCVector3& x);
60  void set_x(const RefSCVector& x);
61  void get_x(SCVector3& x);
62 
63  // find the corners of a bounding box which approximately
64  // contains all points with a value between valuemin and valuemax
65  // the result must satisfy p1[i] < p2[i]
66  virtual void boundingbox(double valuemin,
67  double valuemax,
68  SCVector3& p1, SCVector3& p2) = 0;
69 
70  virtual void interpolate(const SCVector3& p1,
71  const SCVector3& p2,
72  double value,
73  SCVector3& result);
74  virtual void solve(const SCVector3& p,
75  const SCVector3& grad,
76  double value,
77  SCVector3& result);
78 };
79 
80 }
81 
82 #ifdef INLINE_FUNCTIONS
83 #include <math/isosurf/volume_i.h>
84 #endif
85 
86 #endif
87 
88 // Local Variables:
89 // mode: c++
90 // c-file-style: "CLJ"
91 // End:
sc::Ref
A template class that maintains references counts.
Definition: ref.h:332
sc::Function
The Function class is an abstract base class that, given a set of coordinates, will compute a value a...
Definition: function.h:48
sc::RefSCVector
The RefSCVector class is a smart pointer to an SCVector specialization.
Definition: matrix.h:55
sc::Volume
A Volume is a Function of three variables.
Definition: volume.h:42
sc::Function::value
virtual double value()
Return the value of the function.
sc::SCVector3
Definition: vector3.h:45
sc::Volume::compute
virtual void compute()=0
Recompute at least the results that have compute true and are not already computed.

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