openbabel:smiles_charge

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53d07ee... by baoilleach on 2020-02-20

Be more strict when parsing charges in SMILES

5d1f087... by baoilleach on 2019-12-11

Merge pull request #2102 from au1985/issue_2095

Fix issue #2095, caused by incorrect application of protonated SMARTS

a14c9d2... by Alex Ustinov <email address hidden> on 2019-12-04

removed some code left after previous commit by mistake

c243d6f... by Alex Ustinov <email address hidden> on 2019-12-04

Fix alias test to set BABEL_LIBDIR

97f5bec... by Alex Ustinov <email address hidden> on 2019-12-04

Alias generation does not require copy construction of OBMol; added unit test for alias feature

837e060... by Alex Ustinov <email address hidden> on 2019-12-04

Alias generation does not require copy construction of OBMol; added unit test for alias feature

ddfe87e... by Alex Ustinov <email address hidden> on 2019-11-29

Fix issue #2095, caused by incorrect application of protonated SMARTS from superatom.txt to non-protonated molecules

aa951cb... by Geoff Hutchison <email address hidden> on 2019-11-28

Merge pull request #2100 from baoilleach/lowercase_elements

Bring back support for lowercase elements and D/T in GetAtomicNum().

bf91aec... by baoilleach on 2019-11-28

Add direct test for Issue #2063. Also minor tidy to earlier test.

c6b00dc... by baoilleach on 2019-11-27

Merge pull request #2086 from dkoes/cmake_lib_fix

Define OpenBabel3_LIBRARIES for use by other CMake projects