linear_algebra.hpp

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// -*- mode: c++; indent-tabs-mode: nil; -*-
//
//The Biomolecule Toolkit (BTK) is a C++ library for use in the
//modeling, analysis, and design of biological macromolecules.
//Copyright (C) 2001-2006, Tim Robertson <kid50@users.sourceforge.net>,
//                         Chris Saunders <ctsa@users.sourceforge.net>
//
//This program is free software; you can redistribute it and/or modify
//it under the terms of the GNU Lesser General Public License as published
//by the Free Software Foundation; either version 2.1 of the License, or (at
//your option) any later version.
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//This program is distributed in the hope that it will be useful,  but
//WITHOUT ANY WARRANTY; without even the implied warranty of'
//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
//Lesser General Public License for more details.
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//You should have received a copy of the GNU Lesser General Public License
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#ifndef BTK_MATH_LINEAR_ALGEBRA_HPP
#define BTK_MATH_LINEAR_ALGEBRA_HPP

#include <cmath>
#include <iosfwd>
#include <vector>

#include <boost/numeric/ublas/symmetric.hpp>

#include <btk/core/math/constants.hpp>
#include <btk/core/math/btk_vector.hpp>
#include <btk/core/math/btk_matrix.hpp>
#include <btk/core/math/vector_math.hpp>

namespace uBLAS = boost::numeric::ublas;

namespace BTK {
namespace MATH {

typedef uBLAS::symmetric_matrix<double> BTKSymmetricMatrix;

bool
within_sqr_dist(BTKVector const & a,
                BTKVector const & b,
                double r_squared);

inline
double
point_angle(BTKVector const & v1,
            BTKVector const & v2,
            BTKVector const & v3){
  return vector_angle(v1-v2,v3-v2);
}


double
point_dihedral(BTKVector const & a,
               BTKVector const & b,
               BTKVector const & c,
               BTKVector const & d);

BTKVector
set_vector_from_dihedral(BTKVector const & v3,
                         BTKVector const & v2,
                         BTKVector const & v1,
                         double len34,
                         double ang234,
                         double dih1234);

BTKVector
set_vector_from_two_angles(BTKVector const & v3,
                           BTKVector const & v2,
                           BTKVector const & v1,
                           double len34,
                           double ang234,
                           double ang134);


} // namespace MATH
} // namespace BTK

#endif // BTK_LINEAR_ALGEBRA_H

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