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equilibrium_state.pyx
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Sat, Aug 3, 02:35
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1 KB
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text/x-python
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Mon, Aug 5, 02:35 (2 d)
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blob
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19555597
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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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