MPQC
2.3.1
src
lib
math
isosurf
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.
Generated at Sun Jan 26 2020 23:33:05 for
MPQC
2.3.1 using the documentation package
Doxygen
1.8.16.