Package | Description |
---|---|
org.openscience.cdk.libio.md |
Modifier and Type | Method and Description |
---|---|
List<ChargeGroup> |
MDMolecule.getChargeGroups() |
Modifier and Type | Method and Description |
---|---|
void |
MDMolecule.addChargeGroup(ChargeGroup chargeGroup)
Add a ChargeGroup to the MDMolecule if not already present.
|
Modifier and Type | Method and Description |
---|---|
void |
MDMolecule.setChargeGroups(List<ChargeGroup> chargeGroups) |
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