MPQC
3.0.0-alpha
volume.h
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//
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// volume.h
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//
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// Copyright (C) 1996 Limit Point Systems, Inc.
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//
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// Author: Curtis Janssen <cljanss@limitpt.com>
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// Maintainer: LPS
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//
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// This file is part of the SC Toolkit.
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//
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// The SC Toolkit is free software; you can redistribute it and/or modify
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// it under the terms of the GNU Library General Public License as published by
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// the Free Software Foundation; either version 2, or (at your option)
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// any later version.
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//
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// The SC Toolkit is distributed in the hope that it will be useful,
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// but WITHOUT ANY WARRANTY; without even the implied warranty of
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// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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// GNU Library General Public License for more details.
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//
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// You should have received a copy of the GNU Library General Public License
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// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
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// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
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//
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// The U.S. Government is granted a limited license as per AL 91-7.
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//
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#ifndef _math_isosurf_volume_h
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#define _math_isosurf_volume_h
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#include <math/optimize/function.h>
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#include <math/scmat/matrix.h>
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#include <math/scmat/vector3.h>
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namespace
sc
{
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class
Volume
:
public
Function
{
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private
:
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double
_interp_acc;
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protected
:
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double
& interpolation_accuracy();
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virtual
void
compute
() = 0;
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virtual
void
failure(
const
char
*);
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public
:
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Volume
();
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Volume
(
const
Ref<KeyVal>
&);
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~
Volume
();
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void
set_gradient(
const
SCVector3
& g);
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void
set_gradient(
RefSCVector
& g);
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void
get_gradient(
SCVector3
& g);
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void
set_x(
const
SCVector3
& x);
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void
set_x(
const
RefSCVector
& x);
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void
get_x(
SCVector3
& x);
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// find the corners of a bounding box which approximately
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// contains all points with a value between valuemin and valuemax
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// the result must satisfy p1[i] < p2[i]
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virtual
void
boundingbox(
double
valuemin,
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double
valuemax,
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SCVector3
& p1,
SCVector3
& p2) = 0;
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virtual
void
interpolate(
const
SCVector3
& p1,
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const
SCVector3
& p2,
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double
value
,
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SCVector3
& result);
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virtual
void
solve(
const
SCVector3
& p,
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const
SCVector3
& grad,
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double
value
,
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SCVector3
& result);
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};
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}
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#ifdef INLINE_FUNCTIONS
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#include <math/isosurf/volume_i.h>
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#endif
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#endif
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// Local Variables:
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// mode: c++
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// c-file-style: "CLJ"
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// 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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