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A bit more detail, based on the upgrade of SMARTCyp #cdk2024
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egonw committed Apr 7, 2024
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Expand Up @@ -34,7 +34,7 @@ classes are removed. Please use the <class>SilentChemObjectBuilder</class> inste
The same, of course, applies to all implementation classes. For example,
<class>NNMolecule</class> is removed.

#### Removal of IMolecule
#### Removal of IMolecule and IMoleculeSet

The <class>IMolecule</class> interface and all implementing classes have been
removed. They were practically identical in functionality to the
Expand All @@ -43,6 +43,11 @@ removed. They were practically identical in functionality to the
was found to be complicated, and was therefore removed. Please use the
<class>IAtomContainer</class> interface instead.

Generally, <class>IMolecule</class>, <class>IMoleculeSet</class>, <class>Molecule</class>,
and <class>MoleculeSet</class> can be replaced with the 'atomcontainer' equivalents.
Additionally, for <class>IMoleculeSet</class> you may also have to replace
use of methods like `getMoleculeCount()` with their matching `getAtomContainerCount()`.

### Renamed classes and methods

#### Rename of IteratingMDLReader to IteratingSDFReader
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