create thermo coverage dep polynomial model in numpy array class with new __repr__ method

Author: 12Chao

rmgpy/thermo/nasa.pyx

@@ -34,6 +34,7 @@ cimport numpy as np
 from libc.math cimport log
 
 cimport rmgpy.constants as constants
+from rmgpy.util import np_list
 
 ################################################################################
 
@@ -313,8 +314,8 @@ cdef class NASA(HeatCapacityModel):
                  for species, parameters in value.items():
                     # just the polynomial model for now
                      processed_parameters = {'model': parameters['model'],
-                                             'enthalpy-coefficients': np.array([p for p in parameters['enthalpy-coefficients']]),
-                                             'entropy-coefficients': np.array([p for p in parameters['entropy-coefficients']]),
+                                             'enthalpy-coefficients': np_list([p for p in parameters['enthalpy-coefficients']]),
+                                             'entropy-coefficients': np_list([p for p in parameters['entropy-coefficients']]),
                                              }
                      self._thermo_coverage_dependence[species] = processed_parameters
 

rmgpy/thermo/thermodata.pyx

@@ -35,6 +35,7 @@ cimport numpy as np
 from libc.math cimport log
 
 import rmgpy.quantity as quantity
+from rmgpy.util import np_list
 
 ################################################################################
 
@@ -128,8 +129,8 @@ cdef class ThermoData(HeatCapacityModel):
                  for species, parameters in value.items():
                     # just the polynomial model for now
                      processed_parameters = {'model': parameters['model'],
-                                             'enthalpy-coefficients': np.array([p for p in parameters['enthalpy-coefficients']]),
-                                             'entropy-coefficients': np.array([p for p in parameters['entropy-coefficients']]),
+                                             'enthalpy-coefficients': np_list([p for p in parameters['enthalpy-coefficients']]),
+                                             'entropy-coefficients': np_list([p for p in parameters['entropy-coefficients']]),
                                              }
                      self._thermo_coverage_dependence[species] = processed_parameters
 

rmgpy/thermo/wilhoit.pyx

@@ -35,6 +35,7 @@ from libc.math cimport sqrt, log
 
 cimport rmgpy.constants as constants
 import rmgpy.quantity as quantity
+from rmgpy.util import np_list
 
 # Prior to numpy 1.14, `numpy.linalg.lstsq` does not accept None as a value
 RCOND = -1 if int(np.__version__.split('.')[1]) < 14 else None
@@ -150,8 +151,8 @@ cdef class Wilhoit(HeatCapacityModel):
                  for species, parameters in value.items():
                     # just the polynomial model for now
                      processed_parameters = {'model': parameters['model'],
-                                             'enthalpy-coefficients': np.array([p for p in parameters['enthalpy-coefficients']]),
-                                             'entropy-coefficients': np.array([p for p in parameters['entropy-coefficients']]),
+                                             'enthalpy-coefficients': np_list([p for p in parameters['enthalpy-coefficients']]),
+                                             'entropy-coefficients': np_list([p for p in parameters['entropy-coefficients']]),
                                              }
                      self._thermo_coverage_dependence[species] = processed_parameters
 
@@ -213,7 +214,8 @@ cdef class Wilhoit(HeatCapacityModel):
             self.Cp0, self.CpInf, 
             self.a0, self.a1, self.a2, self.a3, 
             self.H0, self.S0, self.B, 
-            Tmin=self.Tmin, Tmax=self.Tmax, comment=self.comment,
+            Tmin=self.Tmin, Tmax=self.Tmax, thermo_coverage_dependence=self.thermo_coverage_dependence,
+            comment=self.comment,
         )
 
     @cython.boundscheck(False)