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specmicp/src/reactmicp/equilibrium_curve/eqcurve_extractor.hpp
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eqcurve_extractor.hpp
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/*-------------------------------------------------------------------------------
Copyright (c) 2014,2015 F. Georget <fabieng@princeton.edu>, Princeton University
All rights reserved.
Redistribution and use in source and binary forms, with or without modification,
are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice, this
list of conditions and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions and the following disclaimer in the documentation and/or
other materials provided with the distribution.
3. Neither the name of the copyright holder nor the names of its contributors
may be used to endorse or promote products derived from this software without
specific prior written permission.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR
ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
(INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON
ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-----------------------------------------------------------------------------*/
#ifndef SPECMICP_REACTMICP_EQCURVEEXTRACTOR_HPP
#define SPECMICP_REACTMICP_EQCURVEEXTRACTOR_HPP
#include "common.hpp"
namespace specmicp {
namespace reactmicp {
namespace eqcurve {
class EquilibriumCurveExtractor
{
public:
EquilibriumCurveExtractor(const Matrix& eq_curve):
m_eqcurve(eq_curve)
{
m_is_increasing = (xs_offset(m_eqcurve.rows()) >= xs_offset(1));
}
EquilibriumCurveExtractor(Matrix&& eq_curve):
m_eqcurve(eq_curve)
{
m_is_increasing = (xs_offset(m_eqcurve.rows()) >= xs_offset(1));
}
index_t find_point(scalar_t x);
index_t first() {return 0;}
index_t last() {return m_eqcurve.rows()-1;}
bool is_increasing() {return m_is_increasing;}
scalar_t totsolid_concentration(index_t index) {
return m_eqcurve(index, 0);
}
scalar_t totaq_concentration(index_t index) {
return m_eqcurve(index, 1);
}
scalar_t porosity(index_t index) {
return m_eqcurve(index, 2);
}
scalar_t diffusion_coefficient(index_t index) {
return m_eqcurve(index, 3);
}
scalar_t interpolate(index_t index, scalar_t x, index_t col);
scalar_t slope(index_t index, index_t col);
private:
scalar_t xs_offset(index_t offset_index) {
return m_eqcurve(offset_index-1, 0);
}
Matrix m_eqcurve;
bool m_is_increasing;
};
} // end namespace eqcurve
} // end namespace reactmicp
} // end namespace specmicp
#endif // SPECMICP_REACTMICP_EQCURVEEXTRACTOR_HPP
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