Add thermo comment for solvation adjustments.

Reports how much the thermo has been changed by solvation corrections.

Author: rwest

rmgpy/thermo/thermoengine.py

@@ -70,7 +70,7 @@ def process_thermo_data(spc, thermo0, thermo_class=NASA, solvent_name=''):
         # correction is added to the entropy and enthalpy
         wilhoit.S0.value_si = (wilhoit.S0.value_si + solvation_correction.entropy)
         wilhoit.H0.value_si = (wilhoit.H0.value_si + solvation_correction.enthalpy)
-        wilhoit.comment += ' + Solvation correction with {} as solvent and solute estimated using {}'.format(solvent_name, solute_data.comment)
+        wilhoit.comment += f' + Solvation correction (H={solvation_correction.enthalpy/1e3:+.0f}kJ/mol;S={solvation_correction.entropy:+.0f}J/mol/K) with {solvent_name} as solvent and solute estimated using {solute_data.comment}'
 
     # Compute E0 by extrapolation to 0 K
     if spc.conformer is None: