@@ -1127,18 +1127,18 @@ def log_summary(self, level=logging.INFO):
11271127 logging .log (level , 'Isomers:' )
11281128 for isomer in self .isomers :
11291129 logging .log (level , ' {0!s:<48} {1:12g} kJ/mol' .format (isomer , isomer .E0 * 0.001 ))
1130- logging .log (level , 'Reactant channels:' )
1131- for reactants in self .reactants :
1132- logging .log (level , ' {0!s:<48} {1:12g} kJ/mol' .format (reactants , reactants .E0 * 0.001 ))
1133- logging .log (level , 'Product channels:' )
1134- for products in self .products :
1135- logging .log (level , ' {0!s:<48} {1:12g} kJ/mol' .format (products , products .E0 * 0.001 ))
1136- logging .log (level , 'Path reactions:' )
1137- for rxn in self .path_reactions :
1138- logging .log (level , ' {0!s:<48} {1:12g} kJ/mol' .format (
1139- rxn , float (rxn .transition_state .conformer .E0 .value_si * 0.001 )))
1140- logging .log (level , 'Net reactions:' )
1141- for rxn in self .net_reactions :
1142- logging .log (level , ' {0!s:<48}' .format (rxn ))
1130+ # logging.log(level, 'Reactant channels:')
1131+ # for reactants in self.reactants:
1132+ # logging.log(level, ' {0!s:<48} {1:12g} kJ/mol'.format(reactants, reactants.E0 * 0.001))
1133+ # logging.log(level, 'Product channels:')
1134+ # for products in self.products:
1135+ # logging.log(level, ' {0!s:<48} {1:12g} kJ/mol'.format(products, products.E0 * 0.001))
1136+ # logging.log(level, 'Path reactions:')
1137+ # for rxn in self.path_reactions:
1138+ # logging.log(level, ' {0!s:<48} {1:12g} kJ/mol'.format(
1139+ # rxn, float(rxn.transition_state.conformer.E0.value_si * 0.001)))
1140+ # logging.log(level, 'Net reactions:')
1141+ # for rxn in self.net_reactions:
1142+ # logging.log(level, ' {0!s:<48}'.format(rxn))
11431143 logging .log (level , '========================================================================' )
11441144 logging .log (level , '' )
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