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Unit tests for detection of individual structures #43

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tranqui opened this issue Mar 28, 2018 · 2 comments
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Unit tests for detection of individual structures #43

tranqui opened this issue Mar 28, 2018 · 2 comments
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enhancement Improved functionality of existing features

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tranqui commented Mar 28, 2018

Running the TCC on isolated cluster geometries should return exactly 1 of the structure, and possibly multiple subunits if it is a composite structure. Having unit tests would facilitate implementation of new structures through test-focused design.
@tranqui tranqui mentioned this issue Mar 28, 2018
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@tranqui tranqui added the enhancement Improved functionality of existing features label Mar 28, 2018
@tranqui tranqui self-assigned this Mar 28, 2018
@tranqui tranqui mentioned this issue Mar 28, 2018
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tranqui commented Mar 29, 2018

Added rudimentary unit tests with d77764c

@tranqui tranqui mentioned this issue Mar 29, 2018
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tranqui commented Mar 29, 2018

To complete unit tests we require pristine sample geometries for all TCC clusters. Opened new issue for this #49

@tranqui tranqui closed this as completed Mar 29, 2018
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