Ric c9199cf1da Address #2753 (#3750) ...

* add test export heder to gitignore

* define export macros in separate file

* install new header

* patch GA with the new macros

* fix struct declarations

* fix conformerparser exports

* fix MolSGroupParsing ParseV3000Array export

* fix java wrappers

* export exceptions

* remove duplicated exports

* Build RDGeneral exceptions into lib

* export queries, only for *nix

* fix RingDecomposerLib header manipulation

* fix CIP labeler test issues

2021-02-15 14:29:04 +01:00

..

test_data

- modified Code/GraphMol/AddHs.cpp so that hydrogens are not

2014-02-01 13:05:10 +01:00

AngleBend.cpp

Fix/urange check (#1506)

2017-09-11 21:17:33 +02:00

AngleBend.h

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

AngleConstraint.cpp

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

AngleConstraint.h

Address #2753 (#3750)

2021-02-15 14:29:04 +01:00

BondStretch.cpp

Fix/urange check (#1506)

2017-09-11 21:17:33 +02:00

BondStretch.h

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

CMakeLists.txt

Cleanup some cmake dependencies (#3077)

2020-04-17 14:34:23 +02:00

Contribs.h

Fixes #1903 (#1971)

2018-07-25 09:14:17 +02:00

DistanceConstraint.cpp

Fix/urange check (#1506)

2017-09-11 21:17:33 +02:00

DistanceConstraint.h

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

Nonbonded.cpp

Fix/mmff threadsafety issues (#2518)

2019-07-12 06:45:47 +02:00

Nonbonded.h

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

OopBend.cpp

Fix/urange check (#1506)

2017-09-11 21:17:33 +02:00

OopBend.h

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

Params.cpp

Cleanup warnings from clang-10 (#3238)

2020-06-19 17:16:22 -04:00

Params.h

Cleanup warnings from clang-10 (#3238)

2020-06-19 17:16:22 -04:00

PositionConstraint.cpp

Fix/urange check (#1506)

2017-09-11 21:17:33 +02:00

PositionConstraint.h

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

StretchBend.cpp

Fix/urange check (#1506)

2017-09-11 21:17:33 +02:00

StretchBend.h

clang-tidy modernize-use-default-member-init and modernize-use-emplace (#3190)

2020-05-28 09:07:58 +02:00

testMMFFForceField.cpp

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

testMMFFForceField.h

first pass, using google style

2015-11-14 14:58:11 +01:00

TorsionAngle.cpp

run clang-tidy with readability-braces-around-statements (#2899)

2020-01-25 14:19:32 +01:00

TorsionAngle.h

Address #2753 (#3750)

2021-02-15 14:29:04 +01:00

TorsionConstraint.cpp

Fixes a bug in TorsionConstraint (#2732)

2019-10-24 16:03:58 +02:00

TorsionConstraint.h

Address #2753 (#3750)

2021-02-15 14:29:04 +01:00