Commit Graph

1 Commits

Author SHA1 Message Date
Greg Landrum
180c15fe0e support reading/writing atom props from SD files (#2297)
* first crude pass

* fix a deprecation

* change naming scheme, support bools

* add standalone function

* add a default value for missings

* support long lines

* stupid typo

* make operator[] work

* revisit missing value handling

* modify missing value handling

* switch to an alternate scheme for specifying missing values

* clang-format

* First pass at property list parser
still needs more tests

* add test for processMolPropertyLists

* get this working as part of the ForwardSDMolSupplier

* first pass at python wrappers and tests

* clang-format run

* add creation of property lists at the mol level

* wrap long lines on output

* remove PoC implementation

* fix python wrappers

* remove out-of-date reference to the Python PoC

* changes in response to review
2019-03-03 13:17:13 -05:00