eqcurve_extractor.hpp
4adc6181a531kinetics

eqcurve_extractor.hpp
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			#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