0.4.2 2021-01-20
- Exporting Chemistry::OpenSMILES::Writer::write_SMILES().
- Removing chirality information from written SMILES, as code to
write this reliably is not yet available.
- Fixing writing of cis/trans bonds.
0.4.1 2021-01-12
- Fixing an issue with 'scalar %hash' in t/01_atoms.t.
- Listing a dependency on Graph::Traversal::DFS.
0.4.0 2021-01-11
- Adding Chemistry::OpenSMILES::Writer, implementing a SMILES writer
for the data structures built by Chemistry::OpenSMILES::Parser.
- Converting 'charge' atom field to integer.
- Exporting Chemistry::OpenSMILES::is_aromatic().
0.3.2 2020-10-05
- Explicitly setting bond order to ':' on bonds between aromatic
atoms.
0.3.1 2020-09-17
- Establishing deterministic order while generating graph vertices
for implicit hydrogen atoms.
0.3.0 2020-09-16
- Deriving counts of implicit hydrogen atoms.
- Default number of attached hydrogen atoms for atoms in square
brackets is 0.
- Supporting bracketless '*' atom.
0.2.1 2020-08-13
- Adding 'number' atom field to store atom positions in the initial
SMILES string.
- Making 'class' atom field mandatory.
- Making 'isotope' atom field an integer.
0.2.0 2020-05-20
- Fixing an issue with graph merging.
- Unifying the representation of single bonds.
- Extending POD documentation.
0.1.3 2020-05-19
- Detecting and reporting unbalanced parentheses.
- Detecting and reporting unclosed ring bonds.
- Fixing position pointers in error messages, removing line numbers.
- Adding versioned dependency on Module::Build::Parse::Yapp v0.1.2.
- Declaring minimum Perl version.
- Fixing the POD.
0.1.2 2020-05-17
- Turning hydrogen counts into real vertices. If 'raw' option is
present, hydrogen counts are left as integers instead.
0.1.1 2020-05-14
- Adding missing dependency on Graph::Undirected.
- Adding POD.
0.1.0 2020-05-13
- Initial release.