FEAT: Added additional tools for Fortran calling codes

include/cantera/base/NoExitLogger.h

@@ -0,0 +1,26 @@
+//! @file NoExitLogger.h
+
+// This file is part of Cantera. See License.txt in the top-level directory or
+// at https://cantera.org/license.txt for license and copyright information.
+
+#ifndef NOEXITLOGGER_H
+#define NOEXITLOGGER_H
+
+#include <string>
+#include "cantera/base/logger.h"
+
+namespace Cantera {
+/// Logger that doesn't exit when an error is thrown.
+/// @ingroup textlogs
+class NoExitLogger : public Logger {
+public:
+    NoExitLogger() {}
+    virtual ~NoExitLogger() {}
+
+    virtual void error(const std::string& msg)
+    {
+       std::cerr << msg << std::endl;
+    }
+};
+}
+#endif

samples/f90/demo.f90

@@ -58,6 +58,7 @@ subroutine demo(gas, MAXSP, MAXRXNS)
 
   double precision q(MAXRXNS), qf(MAXRXNS), qr(MAXRXNS)
   double precision diff(MAXSP)
+  double precision molar_cp(MAXSP), molar_h(MAXSP), g_rt(MAXSP)
 
   character*80 eq
   character*20 name
@@ -119,6 +120,18 @@ subroutine demo(gas, MAXSP, MAXRXNS)
 40   format(' ',a20,e14.5,' m2/s')
   end do
 
+  ! Thermodynamic properties
+  CALL getPartialMolarCp(gas, molar_cp)
+  CALL getPartialMolarEnthalpies(gas, molar_h)
+  CALL getGibbs_RT(gas, g_rt)
+
+  write(*,*) 'Species molar cp, molar enthalpy, normalized Gibbs free energy'
+  do k = 1, nsp
+     call getSpeciesName(gas, k, name)
+     write(*,50) name, molar_cp(k), molar_h(k), g_rt(k)
+50   format(' ',a20,g14.5,' J/kmol-K',g14.5,' J/kmol',g14.5,'-')
+  end do
+
   return
 
 end subroutine demo

src/fortran/cantera.f90

@@ -111,6 +111,10 @@ MODULE CANTERA
      MODULE PROCEDURE ctfunc_getCanteraError
   END INTERFACE getCanteraError
 
+  INTERFACE turnOffExitOnError
+     MODULE PROCEDURE ctfunc_TurnOffExitOnError
+  END INTERFACE turnOffExitOnError
+
   INTERFACE getCp_R
      MODULE PROCEDURE ctthermo_getCp_R
   END INTERFACE getCp_R
@@ -131,6 +135,10 @@ MODULE CANTERA
      MODULE PROCEDURE ctthermo_getEnthalpies_RT
   END INTERFACE getEnthalpies_RT
 
+  INTERFACE getGibbs_RT
+     MODULE PROCEDURE ctthermo_getGibbs_RT
+  END INTERFACE getGibbs_RT
+
   INTERFACE getEntropies_R
      MODULE PROCEDURE ctthermo_getEntropies_R
   END INTERFACE getEntropies_R
@@ -183,6 +191,14 @@ MODULE CANTERA
      MODULE PROCEDURE ctthermo_getPartialMolarIntEnerg_R
   END INTERFACE getPartialMolarIntEnergies
 
+  INTERFACE getPartialMolarCp
+     MODULE PROCEDURE ctthermo_getPartialMolarCp
+  END INTERFACE getPartialMolarCp
+
+  INTERFACE getPartialMolarEnthalpies
+     MODULE PROCEDURE ctthermo_getPartialMolarEnthalpies
+  END INTERFACE getPartialMolarEnthalpies
+
   INTERFACE getReactionString
      MODULE PROCEDURE ctkin_getReactionString
   END INTERFACE getReactionString

src/fortran/cantera_funcs.f90

@@ -86,6 +86,11 @@ subroutine ctfunc_getCanteraError(buf)
       ierr = ctgetCanteraError(buf)
     end subroutine ctfunc_getCanteraError
 
+    subroutine ctfunc_turnOffExitOnError()
+      implicit none
+      call ctturnOffExitOnError()
+    end subroutine ctfunc_turnOffExitOnError
+
     subroutine ctfunc_addCanteraDirectory(self, buf)
       implicit none
       type(phase_t), intent(inout) :: self

src/fortran/cantera_thermo.f90

@@ -545,6 +545,13 @@ subroutine ctthermo_getEnthalpies_RT(self, h_rt)
       self%err = th_getenthalpies_rt(self%thermo_id, h_rt)
     end subroutine ctthermo_getenthalpies_rt
 
+    subroutine ctthermo_getGibbs_RT(self, grt)
+      implicit none
+      type(phase_t), intent(inout) :: self
+      double precision, intent(out) :: grt(self%nsp)
+      self%err = th_getgibbs_rt(self%thermo_id, grt)
+    end subroutine ctthermo_getGibbs_RT
+
     subroutine ctthermo_getEntropies_R(self, s_r)
       implicit none
       type(phase_t), intent(inout) :: self
@@ -567,4 +574,17 @@ subroutine ctthermo_getPartialMolarIntEnerg_R(self, ie)
       self%err = th_getpartialmolarintenergies_r(self%thermo_id, ie)
     end subroutine ctthermo_getPartialMolarIntEnerg_R
 
+    subroutine ctthermo_getPartialMolarCp(self, cpbar)
+      implicit none
+      type(phase_t), intent(inout) :: self
+      double precision, intent(out) :: cpbar(self%nsp)
+      self%err = th_getpartialmolarcp(self%thermo_id, cpbar)
+    end subroutine ctthermo_getPartialMolarCp
+
+    subroutine ctthermo_getPartialMolarEnthalpies(self, hbar)
+      implicit none
+      type(phase_t), intent(inout) :: self
+      double precision, intent(out) :: hbar(self%nsp)
+      self%err = th_getpartialmolarenthalpies(self%thermo_id, hbar)
+    end subroutine ctthermo_getPartialMolarEnthalpies
 end module cantera_thermo