public interface IMolContainer
Modifier and Type | Method and Description |
---|---|
void |
add(java.lang.String Key,
org.openscience.cdk.interfaces.IAtomContainer Value) |
void |
Clear() |
boolean |
compareAtomContainer(java.lang.String Key,
org.openscience.cdk.interfaces.IAtomContainer molToBeCompaired) |
void |
Erase(java.lang.String Key) |
org.openscience.cdk.interfaces.IAtomContainer |
getAtomContainer(java.lang.String Key) |
java.util.Map<java.lang.String,org.openscience.cdk.interfaces.IAtomContainer> |
getAtomContainerMap() |
java.lang.String |
getMoleculeID(org.openscience.cdk.interfaces.IAtomContainer Value) |
boolean |
isKeyPresent(java.lang.String Key) |
boolean |
isValuePresent(org.openscience.cdk.interfaces.IAtomContainer Value) |
void |
put(java.lang.String Key,
org.openscience.cdk.interfaces.IAtomContainer Value) |
void |
write() |
void Clear() throws java.io.IOException
java.io.IOException
void Erase(java.lang.String Key) throws java.io.IOException
Key
- java.io.IOException
org.openscience.cdk.interfaces.IAtomContainer getAtomContainer(java.lang.String Key) throws java.io.IOException
Key
- java.io.IOException
java.util.Map<java.lang.String,org.openscience.cdk.interfaces.IAtomContainer> getAtomContainerMap() throws java.io.IOException
java.io.IOException
java.lang.String getMoleculeID(org.openscience.cdk.interfaces.IAtomContainer Value) throws java.lang.Exception
Value
- java.lang.Exception
boolean isKeyPresent(java.lang.String Key) throws java.io.IOException
Key
- java.io.IOException
boolean isValuePresent(org.openscience.cdk.interfaces.IAtomContainer Value) throws java.io.IOException
Value
- java.io.IOException
void put(java.lang.String Key, org.openscience.cdk.interfaces.IAtomContainer Value) throws java.io.IOException
Key
- Value
- java.io.IOException
void add(java.lang.String Key, org.openscience.cdk.interfaces.IAtomContainer Value) throws java.io.IOException
Key
- Value
- java.io.IOException
void write() throws java.io.IOException
java.io.IOException
boolean compareAtomContainer(java.lang.String Key, org.openscience.cdk.interfaces.IAtomContainer molToBeCompaired) throws java.lang.Exception
Key
- molToBeCompaired
- java.lang.Exception