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specmicp/cython/specmicp/database.pxd
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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
# The raw container
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
# The database manager
# Used to creat and modify the database
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)
# header
cdef class DatabaseManager:
""" The Python database handler
Use this class for checking values in the database
or switching basis/dropping minerals or components...
"""
cdef Database *database
cdef shared_ptr[DataContainer] container
cdef shared_ptr[DataContainer] get_raw_db(self)
cdef DataContainer* _get(self)
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