MPQC  3.0.0-alpha
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 #include <math/optimize/function.h>
32 #include <math/scmat/matrix.h>
33 #include <math/scmat/vector3.h>
34 
35 namespace sc {
36 
38 class Volume: public Function {
39  private:
40  double _interp_acc;
41  protected:
42  double& interpolation_accuracy();
43 
44  virtual void compute() = 0;
45 
46  virtual void failure(const char*);
47  public:
48  Volume();
49  Volume(const Ref<KeyVal>&);
50  ~Volume();
51 
52  void set_gradient(const SCVector3& g);
53  void set_gradient(RefSCVector& g);
54  void get_gradient(SCVector3& g);
55  void set_x(const SCVector3& x);
56  void set_x(const RefSCVector& x);
57  void get_x(SCVector3& x);
58 
59  // find the corners of a bounding box which approximately
60  // contains all points with a value between valuemin and valuemax
61  // the result must satisfy p1[i] < p2[i]
62  virtual void boundingbox(double valuemin,
63  double valuemax,
64  SCVector3& p1, SCVector3& p2) = 0;
65 
66  virtual void interpolate(const SCVector3& p1,
67  const SCVector3& p2,
68  double value,
69  SCVector3& result);
70  virtual void solve(const SCVector3& p,
71  const SCVector3& grad,
72  double value,
73  SCVector3& result);
74 };
75 
76 }
77 
78 #ifdef INLINE_FUNCTIONS
79 #include <math/isosurf/volume_i.h>
80 #endif
81 
82 #endif
83 
84 // Local Variables:
85 // mode: c++
86 // c-file-style: "CLJ"
87 // End:
sc::Ref
A template class that maintains references counts.
Definition: ref.h:361
sc::Function
The Function class is an abstract base class that, given a set of coordinates, will compute a value a...
Definition: function.h:44
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:38
sc::Function::value
virtual double value()
Return the value of the function.
sc::SCVector3
a 3-element version of SCVector
Definition: vector3.h:43
sc
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14
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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