[XtalOpt-devel] [dlonie/XtalOpt] 9261d2: Protect more calls from null args.

[noreply at github.com]

Branch: refs/heads/randomdock_init
Home:   https://github.com/dlonie/XtalOpt

Commit: 9261d22ac597e62eca24e82f94fb967f3c5a2a32
    https://github.com/dlonie/XtalOpt/commit/9261d22ac597e62eca24e82f94fb967f3c5a2a32
Author: David Lonie <loniedavid at gmail.com>
Date:   2010-06-03 (Thu, 03 Jun 2010)

Changed paths:
  M src/randomdock/ui/tab_conformers.cpp

Log Message:
-----------
Protect more calls from null args.


Commit: 65c24be0f8d9b4e2ea4dcc9ade7266f21f9fdad6
    https://github.com/dlonie/XtalOpt/commit/65c24be0f8d9b4e2ea4dcc9ade7266f21f9fdad6
Author: David Lonie <loniedavid at gmail.com>
Date:   2010-06-03 (Thu, 03 Jun 2010)

Changed paths:
  M src/generic/structure.cpp
  M src/generic/structure.h
  M src/randomdock/structures/matrix.cpp
  M src/randomdock/structures/matrix.h
  M src/randomdock/structures/substrate.cpp
  M src/randomdock/structures/substrate.h
  M src/randomdock/ui/tab_plot.cpp
  M src/randomdock/ui/tab_progress.cpp
  M src/xtalopt/ui/tab_plot.cpp
  M src/xtalopt/ui/tab_progress.cpp

Log Message:
-----------
Change matrix and substrate classes to derive from structure.

This change removed the function Structure::hasEnergy() and private
variable bool Structure::m_hasEnergy. This is to keep conformers
working correctly. XtalOpt has been updated to check for (energy != 0)
in place of hasEnergy().


Commit: 44081059ccf8c12eb570cc868d2bf1abaad80130
    https://github.com/dlonie/XtalOpt/commit/44081059ccf8c12eb570cc868d2bf1abaad80130
Author: David Lonie <loniedavid at gmail.com>
Date:   2010-06-03 (Thu, 03 Jun 2010)

Changed paths:
  M src/randomdock/ui/dialog.cpp

Log Message:
-----------
Attach signals for errors, warning, and debugging.


Commit: fb0132c0714ff3b99c679742971985acac8ada9c
    https://github.com/dlonie/XtalOpt/commit/fb0132c0714ff3b99c679742971985acac8ada9c
Author: David Lonie <loniedavid at gmail.com>
Date:   2010-06-03 (Thu, 03 Jun 2010)

Changed paths:
  M src/randomdock/ui/tab_init.cpp

Log Message:
-----------
Check to see if molecules loaded ok before continuing to conformer
generation.


Commit: db096f27b68fea36f54aa10b637e0c5e3a99d5a5
    https://github.com/dlonie/XtalOpt/commit/db096f27b68fea36f54aa10b637e0c5e3a99d5a5
Author: David Lonie <loniedavid at gmail.com>
Date:   2010-06-03 (Thu, 03 Jun 2010)

Changed paths:
  M src/randomdock/ui/tab_conformers.cpp
  M src/randomdock/ui/tab_conformers.h

Log Message:
-----------
Cleaned up conformer generation:
* Moved to separate thread
* Use dialog's progress bar