python wrapper for new condensation rate stuff

photochem/cython/AtomConservation.pyx

@@ -76,3 +76,43 @@ cdef class AtomConservation:
       cdef double val
       atom_pxd.atomconservation_factor_get(&self._ptr, &val)
       return val
+
+cdef class CondensationParameters:
+
+  cdef void *_ptr
+
+  def __cinit__(self):
+    self._ptr = NULL
+
+  property k_cond:
+    def __get__(self):
+      cdef double val
+      atom_pxd.condensationparameters_k_cond_get(&self._ptr, &val)
+      return val
+    def __set__(self, double val):
+      atom_pxd.condensationparameters_k_cond_set(&self._ptr, &val)
+
+  property k_evap:
+    def __get__(self):
+      cdef double val
+      atom_pxd.condensationparameters_k_evap_get(&self._ptr, &val)
+      return val
+    def __set__(self, double val):
+      atom_pxd.condensationparameters_k_evap_set(&self._ptr, &val)
+
+  property RHc:
+    def __get__(self):
+      cdef double val
+      atom_pxd.condensationparameters_rhc_get(&self._ptr, &val)
+      return val
+    def __set__(self, double val):
+      atom_pxd.condensationparameters_rhc_set(&self._ptr, &val)
+
+  property smooth_factor:
+    def __get__(self):
+      cdef double val
+      atom_pxd.condensationparameters_smooth_factor_get(&self._ptr, &val)
+      return val
+    def __set__(self, double val):
+      atom_pxd.condensationparameters_smooth_factor_set(&self._ptr, &val)
+

photochem/cython/AtomConservation_pxd.pxd

@@ -14,4 +14,17 @@ cdef extern void atomconservation_out_top_get(void *ptr, double *val)
 cdef extern void atomconservation_out_rain_get(void *ptr, double *val)
 cdef extern void atomconservation_out_other_get(void *ptr, double *val)
 cdef extern void atomconservation_net_get(void *ptr, double *val)
-cdef extern void atomconservation_factor_get(void *ptr, double *val)
+cdef extern void atomconservation_factor_get(void *ptr, double *val)
+
+# CondensationParameters
+cdef extern void condensationparameters_k_cond_get(void *ptr, double *val)
+cdef extern void condensationparameters_k_cond_set(void *ptr, double *val)
+
+cdef extern void condensationparameters_k_evap_get(void *ptr, double *val)
+cdef extern void condensationparameters_k_evap_set(void *ptr, double *val)
+
+cdef extern void condensationparameters_rhc_get(void *ptr, double *val)
+cdef extern void condensationparameters_rhc_set(void *ptr, double *val)
+
+cdef extern void condensationparameters_smooth_factor_get(void *ptr, double *val)
+cdef extern void condensationparameters_smooth_factor_set(void *ptr, double *val)

photochem/cython/PhotochemVars.pyx

@@ -75,6 +75,15 @@ cdef class PhotochemVars:
       return val
     def __set__(self, double val):
       var_pxd.photochemvars_relative_humidity_set(&self._ptr, &val)
+
+  property H2O_cond_params:
+    "CondensationParameters. H2O condensation rate parameters."
+    def __get__(self):
+      cdef void *ptr1
+      var_pxd.photochemvars_h2o_cond_params_get(&self._ptr, &ptr1)
+      val = CondensationParameters()
+      val._ptr = ptr1
+      return val
 
   property z:
     "ndarray[double,dim=1], shape (nz). The altitude of the center of each atmopsheric layer (cm)"
@@ -105,6 +114,23 @@ cdef class PhotochemVars:
 
       var_pxd.photochemvars_photon_flux_fcn_set(&self._ptr, fcn_c)
 
+  property cond_params:
+    """list, shape (np). Parameters describing condensation and evaporation rates and
+    the RH needed for condensation.
+    """
+    def __get__(self):
+      cdef int dim1
+      var_pxd.photochemvars_cond_params_get_size(&self._ptr, &dim1)
+      cdef void **arrp = <void **> malloc(dim1 * sizeof(void *))
+      var_pxd.photochemvars_cond_params_get(&self._ptr, &dim1, arrp)
+      arr1 = []
+      for i in range(dim1):
+        tmp = CondensationParameters()
+        tmp._ptr = arrp[i]
+        arr1.append(tmp)
+      free(arrp)
+      return arr1
+
   property temperature:
     "ndarray[double,dim=1], shape (nz). The temperature of each atmospheric layer (K)"
     def __get__(self):

photochem/cython/PhotochemVars_pxd.pxd

@@ -27,8 +27,13 @@ cdef extern void photochemvars_trop_ind_get(void *ptr, int *val)
 cdef extern void photochemvars_relative_humidity_get(void *ptr, double *val)
 cdef extern void photochemvars_relative_humidity_set(void *ptr, double *val)
 
+cdef extern void photochemvars_h2o_cond_params_get(void *ptr, void *ptr1)
+
 cdef extern void photochemvars_photon_flux_fcn_set(void *ptr, time_dependent_flux_fcn fcn)
 
+cdef extern void photochemvars_cond_params_get_size(void *ptr, int *dim1)
+cdef extern void photochemvars_cond_params_get(void *ptr, int *dim1, void **ptr1)
+
 cdef extern void photochemvars_temperature_get_size(void *ptr, int *dim1)
 cdef extern void photochemvars_temperature_get(void *ptr, int *dim1, double *temperature)
 

photochem/cython/_photochem.pyx

@@ -1,5 +1,6 @@
 from numpy cimport ndarray
 from libcpp cimport bool
+from libc.stdlib cimport malloc, free
 from libc.stdint cimport uintptr_t
 import numpy as np
 import ctypes as ct

photochem/fortran/AtomConservation_wrapper.f90

@@ -100,3 +100,70 @@ subroutine atomconservation_factor_get(ptr, val) bind(c)
     call c_f_pointer(ptr, con)
     val = con%factor
   end subroutine
+
+! CondensationParameters
+
+!~~ Getters and setters ~~!
+subroutine condensationparameters_k_cond_get(ptr, val) bind(c)
+  type(c_ptr), intent(in) :: ptr
+  real(c_double), intent(out) :: val
+  type(CondensationParameters), pointer :: c
+  call c_f_pointer(ptr, c)
+  val = c%k_cond
+end subroutine
+
+subroutine condensationparameters_k_cond_set(ptr, val) bind(c)
+  type(c_ptr), intent(in) :: ptr
+  real(c_double), intent(in) :: val
+  type(CondensationParameters), pointer :: c
+  call c_f_pointer(ptr, c)
+  c%k_cond = val
+end subroutine
+
+subroutine condensationparameters_k_evap_get(ptr, val) bind(c)
+  type(c_ptr), intent(in) :: ptr
+  real(c_double), intent(out) :: val
+  type(CondensationParameters), pointer :: c
+  call c_f_pointer(ptr, c)
+  val = c%k_evap
+end subroutine
+
+subroutine condensationparameters_k_evap_set(ptr, val) bind(c)
+  type(c_ptr), intent(in) :: ptr
+  real(c_double), intent(in) :: val
+  type(CondensationParameters), pointer :: c
+  call c_f_pointer(ptr, c)
+  c%k_evap = val
+end subroutine
+
+subroutine condensationparameters_rhc_get(ptr, val) bind(c)
+  type(c_ptr), intent(in) :: ptr
+  real(c_double), intent(out) :: val
+  type(CondensationParameters), pointer :: c
+  call c_f_pointer(ptr, c)
+  val = c%RHc
+end subroutine
+
+subroutine condensationparameters_rhc_set(ptr, val) bind(c)
+  type(c_ptr), intent(in) :: ptr
+  real(c_double), intent(in) :: val
+  type(CondensationParameters), pointer :: c
+  call c_f_pointer(ptr, c)
+  c%RHc = val
+end subroutine
+
+subroutine condensationparameters_smooth_factor_get(ptr, val) bind(c)
+  type(c_ptr), intent(in) :: ptr
+  real(c_double), intent(out) :: val
+  type(CondensationParameters), pointer :: c
+  call c_f_pointer(ptr, c)
+  val = c%smooth_factor
+end subroutine
+
+subroutine condensationparameters_smooth_factor_set(ptr, val) bind(c)
+  type(c_ptr), intent(in) :: ptr
+  real(c_double), intent(in) :: val
+  type(CondensationParameters), pointer :: c
+  call c_f_pointer(ptr, c)
+  c%smooth_factor = val
+end subroutine

photochem/fortran/PhotochemVars_wrapper.f90

@@ -103,6 +103,14 @@ subroutine photochemvars_relative_humidity_set(ptr, val) bind(c)
     var%relative_humidity = val
   end subroutine
 
+  subroutine photochemvars_h2o_cond_params_get(ptr, ptr1) bind(c)
+    type(c_ptr), intent(in) :: ptr
+    type(c_ptr), intent(out) :: ptr1
+    type(PhotochemVars), pointer :: var
+    call c_f_pointer(ptr, var)
+    ptr1 = c_loc(var%H2O_cond_params)
+  end subroutine
+
   subroutine photochemvars_photon_flux_fcn_set(ptr, photon_flux_fcn_c) bind(c)
     use photochem_types, only: time_dependent_flux_fcn
     type(c_ptr), intent(in) :: ptr
@@ -116,6 +124,28 @@ subroutine photochemvars_photon_flux_fcn_set(ptr, photon_flux_fcn_c) bind(c)
     var%photon_flux_fcn => photon_flux_fcn_f
 
   end subroutine
+
+  subroutine photochemvars_cond_params_get_size(ptr, dim1) bind(c)
+    type(c_ptr), intent(in) :: ptr
+    integer(c_int), intent(out) :: dim1
+    type(PhotochemVars), pointer :: var
+    call c_f_pointer(ptr, var)
+    dim1 = size(var%cond_params,1)
+  end subroutine
+
+  subroutine photochemvars_cond_params_get(ptr, dim1, ptr1) bind(c)
+    type(c_ptr), intent(in) :: ptr
+    integer(c_int), intent(in) :: dim1
+    type(c_ptr), intent(out) :: ptr1(dim1)
+    integer :: i
+    type(CondensationParameters), pointer :: t1_p(:)
+    type(PhotochemVars), pointer :: var
+    call c_f_pointer(ptr, var)
+    t1_p => var%cond_params
+    do i = 1,dim1
+      ptr1(i) = c_loc(t1_p(i))
+    enddo
+  end subroutine
 
   subroutine photochemvars_temperature_get_size(ptr, dim1) bind(c)
     type(c_ptr), intent(in) :: ptr

photochem/fortran/photochem_c_api.f90

@@ -6,6 +6,7 @@ module photochem_c_api
   use photochem_types, only: PhotochemVars
   use photochem_types, only: PhotochemWrk, PhotochemWrkEvo
   use photochem_types, only: AtomConservation, ProductionLoss
+  use photochem_types, only: CondensationParameters
   use photochem, only: err_len
   use photochem_const, only: s_str_len, m_str_len
   implicit none

src/photochem_types.f90

@@ -12,7 +12,7 @@ module photochem_types ! make a giant IO object
 
   public :: PhotoSettings, SettingsBC
   public :: PhotochemData, PhotochemVars, PhotochemWrk, PhotochemWrkEvo
-  public :: ProductionLoss, AtomConservation, ThermodynamicData
+  public :: ProductionLoss, AtomConservation, ThermodynamicData, CondensationParameters
   public :: Reaction, Efficiencies, BaseRate, PhotolysisRate, PressDependentRate, MultiArrheniusRate
   public :: ElementaryRate, ThreeBodyRate, FalloffRate, ProdLoss
   public :: SundialsDataFinalizer
@@ -422,7 +422,7 @@ subroutine time_dependent_rate_fcn(tn, nz, rate)
     integer :: trop_ind !! index of troposphere (only for fix_water_in_trop == true or gas_rainout == true)
     logical :: use_manabe !! use manabe formula
     real(dp) :: relative_humidity !! relative humidity if no manabe
-    type(CondensationParameters) :: H2O_cond_params !! H2O condesation rate parameters
+    type(CondensationParameters) :: H2O_cond_params !! H2O condensation rate parameters
 
     ! radiative transfer
     real(dp), allocatable :: photon_flux(:) !! (nw) photon/cm^2/s in each wavelength bin hitting planet.