 David Sehnal
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0dc0c74d90
Renamed "common" to "mol-base"
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7 years ago |
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David Sehnal
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2a87a9d131
Refactored project structure
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7 years ago |
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Alexander Rose
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3157bff847
wip, first pass at mmcif schema code generation
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7 years ago |
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David Sehnal
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23ebae54ae
Naming CIF things
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7 years ago |
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Alexander Rose
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df27c59552
use schema created from dic to read mmcif data
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7 years ago |
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Alexander Rose
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b90480cb2b
sync/await for file reading
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7 years ago |
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Alexander Rose
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858e664040
get enumeration values for ucode type fields from mmcif dic
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7 years ago |
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Alexander Rose
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a7119590da
get types for all fields in mmcif dic
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7 years ago |
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Alexander Rose
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2add09eb50
wip, creating schema from dic
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7 years ago |
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Alexander Rose
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6d842b96a9
first attempt at cif dictionary parsing
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7 years ago |
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David Sehnal
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f03e0b6736
simplified computation API
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7 years ago |
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David Sehnal
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5adc085d68
Tweaks
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7 years ago |
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David Sehnal
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85d5e9b9b3
Computation API cleanup
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7 years ago |
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David Sehnal
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99e829a17a
Cleaned up computation API
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7 years ago |
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David Sehnal
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9951dce684
fixed readLinesAsync
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7 years ago |
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David Sehnal
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d46610f47e
Immediate scheduler
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7 years ago |
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Alexander Rose
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261e96068a
Gro parser using computation
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7 years ago |
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David Sehnal
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f749c3619f
CIF parser using computation
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7 years ago |
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David Sehnal
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2693d26dae
Added computation "model"
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7 years ago |
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David Sehnal
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e987d73d2b
BinaryCIF support
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7 years ago |
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David Sehnal
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8b1552d344
Added stringEquals to column
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7 years ago |
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David Sehnal
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6979ae8254
mmCIF schema
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7 years ago |
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David Sehnal
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c5b1b84eb2
Data model improvements
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7 years ago |
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David Sehnal
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c236b5d015
Started CIF parser
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7 years ago |
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David Sehnal
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135635ac06
Changed data model, updated GRO parser to handle velocities, arbitrary precision, multiple models
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7 years ago |
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David Sehnal
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3352740a92
Naming things
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7 years ago |
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David Sehnal
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87dbbe3323
Updated to new data model
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7 years ago |
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Alexander Rose
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b12f11af03
renamed table to category, added File and Block classes, typed category and column objects
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7 years ago |
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Alexander Rose
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5e91cff080
fixed license
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7 years ago |
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Alexander Rose
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07c3377ddb
started with gro reader
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7 years ago |
