 David Sehnal
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0328282d52
Started "AtomUnits"
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7 years ago |
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David Sehnal
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1f07aee54f
Refactor Structure to use IntMap for units
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7 years ago |
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David Sehnal
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60d02b1f6a
Refactoring AtomSet (part 2)
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7 years ago |
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David Sehnal
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ecbe3d2ef0
Refactoring AtomSet to use IntMap (step 1 of ?)
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7 years ago |
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David Sehnal
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90077b5789
mol-data refactoring, add IntMap
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7 years ago |
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David Sehnal
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54fcbd27e7
Use Structure.Builder for assemblies
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7 years ago |
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David Sehnal
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c8d0cfc493
Iterator.forEach tweak
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7 years ago |
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David Sehnal
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e70a0addea
encoder TODO
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7 years ago |
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David Sehnal
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d597f1e88c
Higher tolerance for "symmetry operators"
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7 years ago |
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David Sehnal
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75956de8cc
assembly generation working
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7 years ago |
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David Sehnal
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c6c2994267
assembly parsing from mmCIF
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7 years ago |
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David Sehnal
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88fecd3406
started symmetry
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7 years ago |
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David Sehnal
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d517c8736d
added data/util/group-by
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7 years ago |
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David Sehnal
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75829b4702
better tensor tests
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7 years ago |
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David Sehnal
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727a75ee6a
ability to specify default value in column schema
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7 years ago |
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David Sehnal
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d8437a78ef
SymmetryOperator in mol-math
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7 years ago |
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David Sehnal
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2d6c4538a2
renamed Column.Schema.valueKind to valueType
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7 years ago |
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David Sehnal
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6b57151de6
CIF tensor fields should now be working
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7 years ago |
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David Sehnal
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ba4f08ae7d
Column.indicesOf
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7 years ago |
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David Sehnal
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29d2523958
Unified Column.Type with Column.Schema, removed floating point precisions
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7 years ago |
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David Sehnal
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4efaf1c28b
Module refactoring
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7 years ago |
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David Sehnal
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10e4306746
Tensors in schemas
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7 years ago |
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David Sehnal
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80d18f4aca
tensors
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7 years ago |
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David Sehnal
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5b1d6b6229
bcif todo
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7 years ago |
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David Sehnal
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442f4debaf
"coord" column schema
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7 years ago |
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David Sehnal
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088e61bccf
include float precision in table schemas
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7 years ago |
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David Sehnal
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09fe6032da
CIF writer tweaks
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7 years ago |
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David Sehnal
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5551b1dd08
dom server tweak
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7 years ago |
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David Sehnal
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f8a7f1da91
domain server tweaks
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7 years ago |
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David Sehnal
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8d9604edf2
domain annotation server (prototype)
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7 years ago |
