rdkit

pub_soft/rdkit

Fork 0

mirror of https://github.com/rdkit/rdkit.git synced 2026-06-04 21:54:27 +08:00

Commit Graph

Author	SHA1	Message	Date
Brian Kelley	e70599a12e	Dev/pickle properties (#1277 ) * Adds pickling of properties (optional) * Ignores RDKit::Dict::Pairs - previously private * Fixes AllProps definition * Fixes BondProps seperation * Fixes reaction pickling - Adds ability to pickle atom + QueryAtom * Bumps pickle version * Removes fugly post-increments * Changes Default to NoProps * Tests more options for pickling * Runs clang format * Adds get/setDefaultPropertyPickleOptions, exposes to python * turns tests back on. * Fixes enum (clang was allowing c++11 semantics) * Adds global settings test * Code/GraphMol/testPicklerGlobalSettings.cpp	2017-02-09 16:06:01 +01:00
Brian Kelley	4909bf34fc	Fixes includes for older boost/gcc (#966 )	2016-06-29 05:05:00 +02:00
Brian Kelley	2debdfde0d	Adds RDAny (smaller generic holder) Updates all used dictionaries (#896 ) * Adds RDAny (smaller generic holder) Updates all used dictionaries This is an API compliant version of the current rdany system, but uses a lot less memory in practice. * Removes code duplication * Converts CHECK_INVARIANT to TEST_ASSERT * Fixes DoubleTag issue * Adds Bool to DoubleMagic implementation * Removes reference to property pickler	2016-05-29 17:04:21 +01:00

Author

SHA1

Message

Date

Brian Kelley

e70599a12e

Dev/pickle properties (#1277 )

* Adds pickling of properties (optional)

* Ignores RDKit::Dict::Pairs - previously private

* Fixes AllProps definition

* Fixes BondProps seperation

* Fixes reaction pickling - Adds ability to pickle atom + QueryAtom

* Bumps pickle version

* Removes fugly post-increments

* Changes Default to NoProps

* Tests more options for pickling

* Runs clang format

* Adds get/setDefaultPropertyPickleOptions, exposes to python

* turns tests back on.

* Fixes enum (clang was allowing c++11 semantics)

* Adds global settings test

* Code/GraphMol/testPicklerGlobalSettings.cpp

2017-02-09 16:06:01 +01:00

Brian Kelley

4909bf34fc

Fixes includes for older boost/gcc (#966 )

2016-06-29 05:05:00 +02:00

Brian Kelley

2debdfde0d

Adds RDAny (smaller generic holder) Updates all used dictionaries (#896 )

* Adds RDAny (smaller generic holder) Updates all used dictionaries

This is an API compliant version of the current rdany system,
but uses a lot less memory in practice.

* Removes code duplication

* Converts CHECK_INVARIANT to TEST_ASSERT

* Fixes DoubleTag issue

* Adds Bool to DoubleMagic implementation

* Removes reference to property pickler

2016-05-29 17:04:21 +01:00

3 Commits