 David Sehnal
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6247efa8b6
mol-model: Unit.Atomic.tryRemapBonds
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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bdde2cea31
mol-math: IntAdjacencyGraph.areEqual, remove hashCode
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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aaed0a9a63
hashCode for bonds to avoid re-creating repr
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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60ee04b9b9
linting improvements
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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5f8a4b6be4
better types for IntAdjacencyGraph and GridLookup3D
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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2c55165c84
use relative paths for module imports
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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8281dd24d5
package updates and ts fixes
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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3ab51f6e93
added DirectedEdgeBuilder
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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e4603cae31
filter fused rings, handle alt locs, anomeric carbon detection
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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167833385e
IntAdjacencyGraph.areConnected => areVertexSetsConnected + optimized
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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014c009eaa
added mol-math/IntAdjacencyGraph UniqueEdgeBuilder
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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a228b9f6e2
IntGraph connected components, connected components for UnitRings
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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aa84842fed
added arreConnected function for IntAdjacencyGraph
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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b53203e569
wip, bond order rendering
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%!s(int64=7) %!d(string=hai) anos |
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David Sehnal
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565a5ed92e
Added InterUnitLinks and renamed "bonds" to "links"
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%!s(int64=7) %!d(string=hai) anos |
