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I think the mb.pattern.Pattern.apply method is not well tested or documented.
Bug summary
What were you trying to do and what happened instead? Please copy and paste the stack output I was trying to take a Random2DPattern of points, and place copies of my compounds across this pattern in an orientation specified by the "up" port.
In general, I see no tests in test_pattern.py, and the documentation is lacking for some of these older functions. Might be handy to do a quick update on them, or add this feature so the orientation can be more easily set.
Code to reproduce the behavior
Please include a code snippet that can be used to reproduce this bug.
from mbuild.pattern import Random2DPattern
from mbuild.lib.atoms import H, C3
test_particle = C3()
pattern = Random2DPattern(100, seed=1, orientations={"up":[test_particle]}, scale=10) # I would like this to orient in the [0,0,1] direction.
cpd = H()
cpds = pattern.apply(cpd, orientation="up", compound_port="up")
top_cpd = mb.Compound()
top_cpd.add(cpds)
top_cpd.visualize()
Software versions
- Which version of mBuild are you using? (
python -c "import mbuild as mb; print(mb.__version__)"
) 0.18.0 - Which version of Python (
python --version
)? 3.9 - Which operating system? MacOS