public interface IReactionProcess
Modifier and Type | Method and Description |
---|---|
IParameterReact |
getParameterClass(Class<?> paramClass)
Return the IParameterReact if it exists given the class.
|
List<IParameterReact> |
getParameterList()
Returns the current parameter values.
|
ReactionSpecification |
getSpecification()
Returns a
Map which specifies which reaction
is implemented by this class. |
IReactionSet |
initiate(IAtomContainerSet reactants,
IAtomContainerSet agents)
Initiates the process for the given Reaction.
|
void |
setParameterList(List<IParameterReact> params)
Sets the parameters for this reaction.
|
ReactionSpecification getSpecification()
Map
which specifies which reaction
is implemented by this class.
These fields are used in the map:
void setParameterList(List<IParameterReact> params) throws CDKException
params
- A List of Objects containing the parameters for this reaction.
The key must be included into the Dictionary reacton-processesCDKException
- if invalid number of type of parameters are passed to itgetParameterList()
List<IParameterReact> getParameterList()
setParameterList(java.util.List<org.openscience.cdk.reaction.type.parameters.IParameterReact>)
IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKException
reactants
- An IAtomContainerSet
for which this process should be initiate.agents
- An IAtomContainerSet
for which this process should be initiate.CDKException
- if an error occurs during the reaction process. See documentation for individual reaction processesIParameterReact getParameterClass(Class<?> paramClass)
paramClass
- The classCopyright © 2017. All Rights Reserved.