 KoyaS
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e3e982c051
Merge pull request #11 from yakomaxa/molql_integration_PR
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2 лет назад |
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yakomaxa
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17f09ff3de
Cleaning and lint
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2 лет назад |
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yakomaxa
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7a73416c03
Cleaning and lint
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2 лет назад |
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yakomaxa
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0f799d44ad
Found a bug in withSameAtomProperties in filter.ts, where propSet and currentProps are placed inversely in isSuperSet()
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2 лет назад |
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yakomaxa
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24ebd44f87
remove namedAtomProperty from vmd/parser.ts, removed as any from definition of withSameAtomProperties, un-commented out the continue line in filter.ts
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2 лет назад |
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KoyaS
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572b10e655
Merge pull request #9 from yakomaxa/molql_integration_PR
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2 лет назад |
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yakomaxa
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60361c176b
Updated pick function in filter.ts. This enebles VMD keywords like backbone and many more.
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2 лет назад |
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yakomaxa
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b232a2c58f
Updated atom-set.ts and filter.ts, which leads to correct behavior of inorganic in PyMOL. The bound_to operator was found to behave differently from original PyMOL even in MolQL implementation: it's just mistake in logic.
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2 лет назад |
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yakomaxa
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2a44ac56fb
cleaning by lint
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2 лет назад |
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yakomaxa
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d0340a3257
The function called by filter.withSameAtomProperties is debugged and almost everything works fine now.
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2 лет назад |
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yakomaxa
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e708a53ddb
atom-set.ts table.ts updates
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2 лет назад |
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yakomaxa
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23cdd70198
updated atomCount and many problem solved
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2 лет назад |
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yakomaxa
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ba4bc30a78
remove trash file
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2 лет назад |
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yakomaxa
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e516ea146d
Update for atomCount and countQuery in table.ts
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2 лет назад |
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yakomaxa
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61af638fe4
Update atom-set
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2 лет назад |
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yakomaxa
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7a0af4142f
Now PyMOL within operator works. The key was to replace xs['max-radius'] -> xs['max-radius'](ctx) in table.ts
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2 лет назад |
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yakomaxa
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1aa8d596a3
Updates for queryInSelection in src/mol-script/runtime/query/table.ts was reverted (made bug)
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2 лет назад |
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yakomaxa
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a457810623
queryInSelection in src/mol-script/runtime/query/table.ts was updated
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2 лет назад |
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yakomaxa
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4bccb7ab84
VMD jmol rasmol parser debugged
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2 лет назад |
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yakomaxa
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fcd5b2ce0a
VMD parser debugged
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2 лет назад |
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yakomaxa
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57a1184a16
VMD parser updated, now math function to value comparison enabled
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2 лет назад |
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yakomaxa
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9943e0317d
VMD jmol and rasmol parser updated
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2 лет назад |
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yakomaxa
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ae11c1c904
VMD keyword update
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2 лет назад |
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yakomaxa
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f937e069ca
Clearning by Lint
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2 лет назад |
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yakomaxa
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c9326da47b
Implemented subset of atomSet: atomCount, queryCount and propertySet, which enables some of PyMOL operators. Implementation should be reviewed as byring is not working, and inorganic working incorrectly
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2 лет назад |
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yakomaxa
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4698c05f9c
re-implementation of VMD's exwithin without using wihtin
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2 лет назад |
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yakomaxa
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15fd2cd5a0
let transpile.ts show what the query is
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2 лет назад |
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yakomaxa
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193eb11095
Set some operators that lacks corresponding implementation to isUnsupported : true
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2 лет назад |
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yakomaxa
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59cc0096cd
fixing typo in example of pymol operator: resname CA -> name CA
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2 лет назад |
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yakomaxa
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6bd7390eb8
Debbuged asAtoms in helper.ts, which enables operation using this function such as byresidue and neighbor. In addition, min-spelling in neighbor operation fixed: neighbour -> neighbor
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2 лет назад |
