Isomorphism Improvements - #2998

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isomorphism_improvements

Commits on Aug 27, 2026

add check_labels option to molecule
mjohnson541
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25deee9
add check_labels option to group.py
mjohnson541
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5212976
add check_labels option to fragment
mjohnson541
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dbeef71
handle check_labels in graph.pyx
mjohnson541
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9374d29
handle check_labels in vf2
mjohnson541
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cfa38d7
add test of molecule check_labels option
mjohnson541
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e3d287f
test check_labels option for fragments
mjohnson541
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53f6d35
add has_intersection_with functions
mjohnson541
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6f91f53
add is_intersection_isomorphic and find_intersection_isomorphisms functions to graph and group
mjohnson541
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287a0f5
adapt VF2 implementation to handle intersection isomorphism
mjohnson541
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4fd807d
add tests for intersection isomorphism related functions
mjohnson541
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7ebcf6c
fix Ncoord proceessing and comparison
mjohnson541
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fed9f19
squash
mjohnson541
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d467e8c
pass props dict to group in to_group method
mjohnson541
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1ac4c56
add potential hetergeneous catalyst surface elements to RMG
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2bdaf4e
apply renaming to documentation
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c007abd
apply naming changes across the testing database
mjohnson541
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2db4cc2
apply naming changes across tests
mjohnson541
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8a94e96
change RMG-database branch
mjohnson541
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84eb829
add has_same_labels function and test
mjohnson541
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fe76a68