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AtomGraphs can't be built from files if a relative path is provided #120

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thazhemadam opened this issue Oct 9, 2021 · 0 comments · Fixed by #121
Closed

AtomGraphs can't be built from files if a relative path is provided #120

thazhemadam opened this issue Oct 9, 2021 · 0 comments · Fixed by #121
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@thazhemadam
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Trying to build an AtomGraph from a file doesn't seem to work if the path provided as input_file_path is a relative path.

julia> AtomGraph("test/test_data/strucs/mp-195.cif")

┌ Warning: Unable to build graph for test/test_data/strucs/mp-195.cif
└ @ ChemistryFeaturization.Atoms ~/Chemellia/ChemistryFeaturization.jl/src/atoms/atomgraph.jl:107
missing

This seems to be because rc[:paths][:crystals] = @__DIR__, that Xtals.jl requires (see here) hasn't been defined for relocatability with package compiler reasons (see discussion here).
@thazhemadam thazhemadam added the bug Something isn't working label Oct 9, 2021
thazhemadam added a commit that referenced this issue Oct 9, 2021
@thazhemadam
utils: graph_building.jl: fix #120
d4f69a8
thazhemadam added a commit that referenced this issue Oct 9, 2021
@thazhemadam
utils: graph_building.jl: fix #120
8684146 
Allow `AtomGraph`s to be built from relative file paths.
Also, add *.jls to the .gitignore.
@thazhemadam thazhemadam linked a pull request Oct 9, 2021 that will close this issue
build AtomGraphs from relative file paths #121
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build AtomGraphs from relative file paths Chemellia/ChemistryFeaturization.jl
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@thazhemadam