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Commits on Oct 20, 2018
  1. Merge pull request #491 from cdk/patch/rxn-depict-16oct18

    egonw committed Oct 20, 2018
    Patch/rxn depict 16oct18
Commits on Oct 18, 2018
  1. index

    potatostodie committed Oct 18, 2018
  2. Merge pull request #490 from kazuyaujihara/Fsp3

    johnmay committed Oct 18, 2018
    Add FractionalCSP3Descriptor line to services info
  3. Null check needed.

    johnmay committed Oct 18, 2018
  4. Better handling of combined abbreviations. Previously a set of connec…

    johnmay committed Oct 18, 2018
    …ted components was split and individually abbreviated (then combined). Now we perform a leave one out test of multiple components, allowing us to capture the Pd(dppf)Cl2 (3 components) and DCM (1 component) in this example.
  5. Do not align atoms if their geometry doesn't match, for now this mean…

    johnmay committed Oct 16, 2018
    …s (collinear vs bent).
Commits on Oct 17, 2018
Commits on Oct 16, 2018
  1. Merge pull request #489 from cdk/patch/issue-fixup

    egonw committed Oct 16, 2018
    Patch/issue fixup
  2. Both null and 0 mean unspecified isotope.

    johnmay committed Oct 16, 2018
Commits on Oct 15, 2018
  1. Merge pull request #487 from kazuyaujihara/Fsp3

    johnmay committed Oct 15, 2018
    Add FractionalCSP3Descriptor known as Fsp3
  2. Add contributor

    kazuyaujihara committed Oct 15, 2018
Commits on Oct 14, 2018
  1. Merge pull request #486 from kazuyaujihara/patch/LogicalAnd

    johnmay committed Oct 14, 2018
    Fix some bitwise & operators to logical && ones
Commits on Oct 13, 2018
  1. Merge pull request #485 from cdk/patch/484

    egonw committed Oct 13, 2018
    Looks good.
Commits on Oct 11, 2018
  1. Some corrections.

    johnmay committed Oct 11, 2018
  2. Round trip MF charge.

    johnmay committed Oct 11, 2018
Commits on Oct 9, 2018
  1. Merge pull request #481 from michaelwenk/add/constantFields

    johnmay committed Oct 9, 2018
    Add/constant fields
Commits on Oct 8, 2018
  1. Merge pull request #482 from cdk/patch/7Oct18

    egonw committed Oct 8, 2018
    Looks good.
  2. Units should be parsed in to the SVG Draw Visitor.

    johnmay committed Oct 8, 2018
Commits on Oct 7, 2018
  1. Be strict when placing partial rings, check bond count in addition to…

    johnmay committed Oct 7, 2018
    … atom count.
Commits on Oct 5, 2018
  1. - @see links removed

    michaelwenk committed Oct 5, 2018
Commits on Sep 18, 2018
Commits on Sep 17, 2018
  1. Update issue management.

    johnmay committed Sep 17, 2018
  2. Merge pull request #480 from cdk/patch/pattern

    johnmay committed Sep 17, 2018
    Correct API call.
Commits on Aug 13, 2018
  1. Correct API call.

    johnmay committed Aug 13, 2018
Commits on Aug 6, 2018
Commits on Aug 2, 2018
  1. Merge pull request #478 from kazuyaujihara/patch/NewAtomString

    johnmay committed Aug 2, 2018
    behavior of new Atom(String)
Commits on Aug 1, 2018
Commits on Jul 31, 2018
  1. - NMRSHIFT constant field added for sulfur

    michaelwenk committed Jul 31, 2018
    - 	NMRSPECTYPE constant fields added as spectrum type identifiers for 
    	e.g. 1D DEPT90 or 2D HSQC experiments