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handle ValueError as well
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pynta/geometricanalysis.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -714,7 +714,7 @@ def generate_allowed_structure_site_structures(adsorbate_dir,sites,site_adjacenc
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for geom in geoms:
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try:
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admol,neighbor_sites,ninds = generate_adsorbate_2D(geom, sites, site_adjacency, nslab, max_dist=max_dist, cut_off_num=cut_off_num)
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except FailedFixBondsException:
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except (FailedFixBondsException,ValueError):
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continue
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m = remove_slab(admol)
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if not generate_without_site_info(m).is_isomorphic(target_mol,save_order=True): #geom didn't optimize to target

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