database.pxd
84dc444f1a49database

database.pxd
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			from libcpp.string cimport string
			from libcpp.vector cimport vector
			from libcpp.map cimport map as cmap
			from libcpp cimport bool
			from memory cimport shared_ptr
			from eigen cimport MatrixXd, VectorXd

			cdef extern from "database/data_container.hpp" namespace "specmicp::database":
			cdef cppclass DataContainer:
			# Cython-cpp interface
			#
			# basis
			# -----
			int nb_component
			vector[string] labels_basis
			#
			# aqueous
			#--------
			int nb_aqueous
			vector[string] labels_aqueous
			MatrixXd nu_aqueous
			VectorXd logk_aqueous
			#
			# mineral
			#--------
			int nb_mineral
			vector[string] labels_minerals
			MatrixXd nu_mineral
			VectorXd logk_mineral


			cdef extern from "database/database.hpp" namespace "specmicp::database":
			cdef cppclass Database:
			# cython-cpp interface - list of methods that we can access
			# Database should be the only module accessible from python
			Database()
			Database(string) except +
			void parse_database(string) except +
			shared_ptr[DataContainer] get_database()
			void swap_components(cmap[string, string])
			void minerals_keep_only(vector[string])
			# The following methods are from
			# specmicp::database::DatabaseModule
			bool is_database_canonical()
			int component_label_to_id(string)
			int aqueous_label_to_id(string)
			int mineral_label_to_id(string)