Closed achantzis closed 2 years ago
That's odd. @shuail ??
(He added the hub option recently.)
@achantzis That's odd, could you try to run the test case under the tests folder (the function is here https://github.com/MobleyLab/Lomap/blob/49152deeb5e70c64b8d9906fc76df2b28c404b67/test/test_lomap.py#L140 ) and see if you could get the radial graph using that example case?
@shuail I have run the test script as: python ./test_lomap.py
And I get the following:
Ran 11 tests in 15.264s
OK
It seems that the tests for invalid arguments have passed and all is fine. I did not get any graph out of this run though... Was it expected to produce a graph by running the tests of this script?
@achantzis are you on the master branch or the networkx2 one? Can you type git log
in your terminal? You may just not be using a branch where that functionality is already implemented?
@ppxasjsm
Doing git log I got the following:
commit f0d52a1e7ea11a9ef5bff168db39a7561c8ac9f6 Author: ppxasjsm antonia.mey@fu-berlin.de Date: Tue Oct 16 22:30:39 2018 +0100
only build for devel and master
commit 9e97a08bb74567c35f11e191115b0c08a75a60af Author: ppxasjsm antonia.mey@fu-berlin.de Date: Tue Oct 16 22:22:13 2018 +0100
adding pygraphviz
commit dba977b5882f4af0018602e62024235ecc4c44c8 Author: ppxasjsm antonia.mey@fu-berlin.de Date: Tue Oct 16 22:16:23 2018 +0100
matplotlib 1.5
commit 787f1ba10494767479371de8f4bf401ee8a1e878 Author: ppxasjsm antonia.mey@fu-berlin.de Date: Tue Oct 16 22:11:01 2018 +0100
welcome to conda dependency hell
commit d61ab1bbffe0c91b7e577b98529c4cf49d76eab0 Author: ppxasjsm antonia.mey@fu-berlin.de Date: Tue Oct 16 21:56:01 2018 +0100
adding pyqt4 dependcy to travis
commit fe3bd91cc9b60a62ec19f3b030f3f41106820399 Author: ppxasjsm antonia.mey@fu-berlin.de Date: Tue Oct 16 17:35:56 2018 +0100
are you a valid yml?
commit 67ee93595bf5107772cc82315f30989144e7ee8f Author: ppxasjsm antonia.mey@fu-berlin.de Date: Tue Oct 16 17:28:58 2018 +0100
are you a valid yml?
commit 7d5a346bcd89f169ece4fa4fc4bf5b0cd58fcbfe Author: ppxasjsm antonia.mey@fu-berlin.de Date: Tue Oct 16 17:02:45 2018 +0100
ugh travis again
commit fa24ec78fb53e705f450ede8288b9dc4b062cb03 Author: ppxasjsm antonia.mey@fu-berlin.de Date: Tue Oct 16 17:00:43 2018 +0100
ugh travis
commit 20e1a551a2fc0cf1332d439cfc9b67d878593b2d Author: ppxasjsm antonia.mey@fu-berlin.de Date: Tue Oct 16 16:58:22 2018 +0100
fixing Pep* convention and trailing whitespaces issue
commit 7f3ace4888b07fd5f6201fd12cd4250728009680
Closing this; maintenance moved to github.com/OpenFreeEnergy/Lomap.
Dear all,
I am running lomap on a set of molecules and it runs fine using python 2.7. I have the following problem though: when I try to specify the hub molecule, so as to estimate the similarity scores of all the rest of the molecules with respect to the hub molecule I do not get the desired results. The output is the same graph as the one I get without specifying the hub option. I use the following command:
lomap -v pedantic -b system_01.mol2 -a ~/molecules/test
Can anyone please tell me what might be the problem?
Sincerely,
Agisilaos