Fix grid, assert henry molecule not modified, always check bond lengths in gcmc and henry at end - Githubissues

SimonEnsemble / PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials

GNU General Public License v3.0

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Fix grid, assert henry molecule not modified, always check bond lengths in gcmc and henry at end #63

Closed SimonEnsemble closed 6 years ago

coveralls commented 6 years ago

Pull Request Test Coverage Report for Build 63

22 of 35 (62.86%) changed or added relevant lines in 5 files are covered.
62 unchanged lines in 5 files lost coverage.
Overall coverage decreased (-4.4%) to 70.387%

Changes Missing Coverage	Covered Lines	Changed/Added Lines	%
src/GCMC.jl	5	7	71.43%
src/Crystal.jl	2	5	40.0%
src/Grid.jl	0	4	0.0%
src/Henry.jl	0	4	0.0%
<!--	Total:	22	35	62.86%	-->

Files with Coverage Reduction	New Missed Lines	%
src/Henry.jl	1	0.0%
src/Crystal.jl	1	79.49%
src/Molecules.jl	1	85.37%
src/ElectrostaticEnergetics.jl	6	95.16%
src/GCMC.jl	53	67.64%
<!--	Total:	62		-->

Totals
Change from base Build 57:	-4.4%
Covered Lines:	946
Relevant Lines:	1344

💛 - Coveralls