Example #1
0
 def __init__(self,
              index=-1,
              reactants=None,
              products=None,
              kinetics=None,
              reversible=True,
              transitionState=None,
              duplicate=False,
              degeneracy=1,
              pairs=None,
              library=None,
              entry=None):
     Reaction.__init__(self,
                       index=index,
                       reactants=reactants,
                       products=products,
                       kinetics=kinetics,
                       reversible=reversible,
                       transitionState=transitionState,
                       duplicate=duplicate,
                       degeneracy=degeneracy,
                       pairs=pairs)
     self.library = library
     self.family = library
     self.entry = entry
Example #2
0
 def __init__(self,
              index=-1,
              reactants=None,
              products=None,
              kinetics=None,
              reversible=True,
              transitionState=None,
              duplicate=False,
              degeneracy=1,
              pairs=None,
              library=None,
              entry=None
              ):
     Reaction.__init__(self,
                       index=index,
                       reactants=reactants,
                       products=products,
                       kinetics=kinetics,
                       reversible=reversible,
                       transitionState=transitionState,
                       duplicate=duplicate,
                       degeneracy=degeneracy,
                       pairs=pairs
                       )
     self.library = library
     self.family = library
     self.entry = entry
Example #3
0
 def __init__(self,
              index=-1,
              reactants=None,
              products=None,
              specific_collider=None,
              kinetics=None,
              reversible=True,
              transition_state=None,
              duplicate=False,
              degeneracy=1,
              pairs=None,
              depository=None,
              family=None,
              entry=None):
     Reaction.__init__(self,
                       index=index,
                       reactants=reactants,
                       products=products,
                       specific_collider=specific_collider,
                       kinetics=kinetics,
                       reversible=reversible,
                       transition_state=transition_state,
                       duplicate=duplicate,
                       degeneracy=degeneracy,
                       pairs=pairs)
     self.depository = depository
     self.family = family
     self.entry = entry
Example #4
0
 def __init__(self,
              index=-1,
              reactants=None,
              products=None,
              specificCollider=None,
              kinetics=None,
              network_kinetics=None,
              reversible=True,
              transitionState=None,
              duplicate=False,
              degeneracy=1,
              pairs=None,
              library=None,
              allow_pdep_route=False,
              elementary_high_p=False,
              entry=None):
     Reaction.__init__(
         self,
         index=index,
         reactants=reactants,
         products=products,
         specificCollider=specificCollider,
         kinetics=kinetics,
         network_kinetics=network_kinetics,
         reversible=reversible,
         transitionState=transitionState,
         duplicate=duplicate,
         degeneracy=degeneracy,
         pairs=pairs,
         allow_pdep_route=allow_pdep_route,
         elementary_high_p=elementary_high_p,
     )
     self.library = library
     self.family = library
     self.entry = entry
 def __init__(self,
              index=-1,
              reactants=None,
              products=None,
              specificCollider=None,
              kinetics=None,
              reversible=True,
              transitionState=None,
              duplicate=False,
              degeneracy=1,
              pairs=None,
              depository=None,
              family=None,
              entry=None
              ):
     Reaction.__init__(self,
                       index=index,
                       reactants=reactants,
                       products=products,
                       specificCollider=specificCollider,
                       kinetics=kinetics,
                       reversible=reversible,
                       transitionState=transitionState,
                       duplicate=duplicate,
                       degeneracy=degeneracy,
                       pairs=pairs
                       )
     self.depository = depository
     self.family = family
     self.entry = entry
 def __init__(self,
              index=-1,
              reactants=None,
              products=None,
              specificCollider=None,
              kinetics=None,
              network_kinetics=None,
              reversible=True,
              transitionState=None,
              duplicate=False,
              degeneracy=1,
              pairs=None,
              library=None,
              allow_pdep_route=False,
              elementary_high_p=False,
              allow_max_rate_violation=False,
              entry=None,
              ):
     Reaction.__init__(self,
                       index=index,
                       reactants=reactants,
                       products=products,
                       specificCollider=specificCollider,
                       kinetics=kinetics,
                       network_kinetics=network_kinetics,
                       reversible=reversible,
                       transitionState=transitionState,
                       duplicate=duplicate,
                       degeneracy=degeneracy,
                       pairs=pairs,
                       allow_pdep_route=allow_pdep_route,
                       elementary_high_p=elementary_high_p,
                       allow_max_rate_violation=allow_max_rate_violation,
                       )
     self.library = library
     self.family = library
     self.entry = entry