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equilibrium_state.pyx
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Created
Tue, Jul 9, 16:54
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text/x-python
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Thu, Jul 11, 16:54 (1 d, 23 h)
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rSPECMICP SpecMiCP / ReactMiCP
equilibrium_state.pyx
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from libcpp.string cimport string
from eigen cimport MatrixXd, VectorXd
from equilibrium_state cimport EquilibriumState, EquilibriumSystem
cdef create_equilibrium_system(const EquilibriumState& system):
obj = EquilibriumSystem()
obj.initialize(system)
return obj
cdef class EquilibriumSystem:
"""A system at equilibrium"""
def __cinit__(self):
pass
cdef initialize(self, const EquilibriumState& data):
self.system = new EquilibriumState(data)
def mass_water(self):
return self.system.mass_water()
def molality_component(self, int idc):
return self.system.molality_component(idc)
def moles_mineral(self, int idm):
return self.system.moles_mineral(idm)
def mass_mineral(self, int idm):
return self.system.mass_mineral(idm)
def pH(self):
return self.system.pH()
def molality_secondary(self, int ids):
return self.system.molality_secondary(ids)
def total_aqueous_concentration(self, int idc):
return self.system.total_aqueous_concentration_component(idc)
def activity_coefficient_component(self, int idc):
return self.system.activity_coefficient_component(idc)
def activity_component_secondary(self, int ids):
return self.system.activity_coefficient_secondary(ids)
def activity_secondary(self, int ids):
return self.system.activity_secondary(ids)
def logIAP(self, int idm):
return self.system.logIAP(idm)
def saturation_index(self, int idm):
return self.saturation_index(idm)
def logIAP_kinetic(self, int idk):
return self.system.logIAP_kinetic(idk)
def saturation_index_kinetic(self, int idk):
return self.system.saturation_index_kinetic(idk)
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