Greg Landrum 62150f7d80 Squashed commit of the following: ...

commit 7f7b5268a62eecd260027e0918abbdf62b100034
Merge: 90e9fd3 6dd173d
Author: Greg Landrum <greg.landrum@gmail.com>
Date:   Tue Aug 8 01:19:15 2017 +0200

    merge back to master

commit 6dd173dec6
Merge: 45a94bd e11ad49
Author: Brian Kelley <fustigator@gmail.com>
Date:   Thu Aug 3 07:54:26 2017 -0400

    Merge pull request #8 from greglandrum/dev/rgroup-decomposition

    support using generic iterators in ctor;

commit e11ad49068
Author: Greg Landrum <greg.landrum@gmail.com>
Date:   Tue Aug 1 06:29:52 2017 +0200

    move notebooks to docs

commit 606c03c28f
Author: Greg Landrum <greg.landrum@gmail.com>
Date:   Thu Jul 27 05:13:13 2017 +0200

    support using generic iterators in ctor;
    general comment: this is a useful pattern that we could use elsewhere

commit 45a94bd663
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Wed Jul 26 13:30:23 2017 -0400

    Updates notebooks

commit 8f78ba97d3
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Wed Jul 26 09:00:42 2017 -0400

    Updates notebooks

commit 44728803ae
Merge: d67409d 4d0b00d
Author: Brian Kelley <fustigator@gmail.com>
Date:   Wed Jul 26 08:53:11 2017 -0400

    Merge pull request #7 from greglandrum/dev/rgroup-decomposition

    clean up a couple leaks and some compiler warnings

commit 4d0b00dd2e
Author: Greg Landrum <greg.landrum@gmail.com>
Date:   Wed Jul 26 07:47:56 2017 +0200

    clean up a couple leaks and some compiler warnings

commit d67409da0c
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Tue Jul 25 11:43:14 2017 -0400

    Makes the scoring system more sane

commit 1b5181dc2f
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Tue Jul 25 10:55:33 2017 -0400

    Finalizes enums

commit 7e9ee61556
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Tue Jul 25 10:55:18 2017 -0400

    Fixes constructor botched in the last commit

commit aed2a201bf
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Mon Jul 24 18:22:42 2017 -0400

    Cleans up some code

commit 95e82a1398
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Mon Jul 24 18:14:31 2017 -0400

    Removes unused variable

commit 0b1ed09316
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Mon Jul 24 18:14:23 2017 -0400

    Slight optimization by combining two loops

commit ed3340a516
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Mon Jul 24 13:53:06 2017 -0400

    Fixes post increments in for loops

commit 25b1678a58
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Mon Jul 24 13:52:53 2017 -0400

    Fixes memory leak and doesn’t call SmartsToMol twice

commit 86c8c42688
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Mon Jul 24 13:52:32 2017 -0400

    Adds header guards

commit b043e38d3a
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Mon Jul 24 13:52:25 2017 -0400

    Removes unused variable

commit 631aa77153
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Tue Jul 11 08:10:39 2017 -0400

    Fixes typo in filename

commit d6e0dc753a
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Mon Jul 10 14:48:04 2017 -0400

    Fixes c++11 style enums

commit b9a31eae9a
Author: Brian Kelley <brian.kelley@novartis.com>
Date:   Mon Jul 10 14:00:04 2017 -0400

    Adds RGroupDecomposition attempt

2017-08-08 01:23:49 +02:00

5.8 KiB

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