mikeheiber / ising_opv Goto Github PK
View Code? Open in Web Editor NEWA C++ software tool for generating and analyzing model bulk heterojunction morphologies in a parallel computing environment
License: MIT License
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Add ability to simulate phase separation of ternary blends
2 failed tests
[ FAILED ] 2 tests, listed below:
[ FAILED ] MorphologyTest.TortuosityTests
[ FAILED ] MorphologyTest.SmoothingAndResizeTests
on Fedora 31
Add changelog file for documenting changes between versions
see Excimontec repo for example format
Tortuosity histogram bugs
The tortuosity probability histograms are currently being cutoff so that the fraction of pathways with a tortuosity of 1 are not being output in the dataset.
In addition, the code currently would also output an erroneous tortuosity histogram if a given morphology does not have any pathways with a tortuosity of 1 because the histogram calculation does not use specified bin positions and instead changes them based on the minimum data point.
Might be possible to test for this by checking the tortuosity histogram output produced when running the code with the default parameters.
MPI test failed
I build your code with OpenMPI/1.10.3 and gcc/6.3.0 and then used this command: ./test/Ising_OPV_MPI_tests.exe but it shows this error:
[==========] Running 5 tests from 1 test case.
[----------] Global test environment set-up.
[----------] 5 tests from MPI_Test
[ RUN ] MPI_Test.CalculateProbHistAvgTests
test/test_mpi.cpp:46: Failure
Expected equality of these values:
6
(int)prob.size()
Which is: 3
[ FAILED ] MPI_Test.CalculateProbHistAvgTests (0 ms)
[ RUN ] MPI_Test.CalculateVectorAvgTests
test/test_mpi.cpp:68: Failure
Expected equality of these values:
4.5
data_avg[0]
Which is: 0
test/test_mpi.cpp:69: Failure
Expected equality of these values:
5.5
data_avg[1]
Which is: 1
test/test_mpi.cpp:70: Failure
Expected equality of these values:
6.5
data_avg[2]
Which is: 2
[ FAILED ] MPI_Test.CalculateVectorAvgTests (1 ms)
[ RUN ] MPI_Test.CalculateVectorSumTests
test/test_mpi.cpp:83: Failure
Expected equality of these values:
18.0
Which is: 18
data_sum[0]
Which is: 0
test/test_mpi.cpp:84: Failure
Expected equality of these values:
22.0
Which is: 22
data_sum[1]
Which is: 1
test/test_mpi.cpp:85: Failure
Expected equality of these values:
26.0
Which is: 26
data_sum[2]
Which is: 2
test/test_mpi.cpp:94: Failure
Expected equality of these values:
18
data_sum2[0]
Which is: 0
test/test_mpi.cpp:95: Failure
Expected equality of these values:
22
data_sum2[1]
Which is: 1
test/test_mpi.cpp:96: Failure
Expected equality of these values:
26
data_sum2[2]
Which is: 2
[ FAILED ] MPI_Test.CalculateVectorSumTests (0 ms)
[ RUN ] MPI_Test.GatherValuesTests
[ OK ] MPI_Test.GatherValuesTests (0 ms)
[ RUN ] MPI_Test.GatherVectorsTests
test/test_mpi.cpp:151: Failure
Expected equality of these values:
12
(int)data_all.size()
Which is: 3
test/test_mpi.cpp:162: Failure
Expected equality of these values:
12
(int)data_all2.size()
Which is: 3
[ FAILED ] MPI_Test.GatherVectorsTests (0 ms)
[----------] 5 tests from MPI_Test (1 ms total)
[----------] Global test environment tear-down
[==========] 5 tests from 1 test case ran. (1 ms total)
[ PASSED ] 1 test.
[ FAILED ] 4 tests, listed below:
[ FAILED ] MPI_Test.CalculateProbHistAvgTests
5 FAILED TESTS
Any idea how to resolve these errors?
Add CONTRIBUTING.md file
Add more detailed instructions for people that want to contribute to the project.
Tomogram Import Bugs
Importing the tomogram xml data file produces an error when calling the LoadFile function but this error goes away when the file is opened as a binary file. Opening as a binary file is suggested by the Tinyxml2 documentation.
When x and y dimensions of tomo data are not almost equal the import operation produces an error complaining that the input lattice and Parameters object dimensions do not agree when creating new Morphology objects from the extracted sublattices.
Tomogram import using parameters that assume some mixed phase does not produce morphologies with increased interfacial volume fraction
Setting the Mixed_frac parameter to 0.1 does not increase the interfacial volume fraction of the final morphology set.
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