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
39namespace sc {
40
42class 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:
The Function class is an abstract base class that, given a set of coordinates, will compute a value a...
Definition function.h:48
virtual double value()
Return the value of the function.
The RefSCVector class is a smart pointer to an SCVector specialization.
Definition matrix.h:55
A template class that maintains references counts.
Definition ref.h:332
Definition vector3.h:46
A Volume is a Function of three variables.
Definition volume.h:42
virtual void compute()=0
Recompute at least the results that have compute true and are not already computed.
void set_x(const RefSCVector &x)
Set and retrieve the coordinate values.

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