Commits · a9f5bf0d863b82bf0abc18aa863122df3ced1cae · schwede / openstructure · GitLab

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Jan 02, 2024
- test: SCHWED-6108 update tests accordingly · a9f5bf0d
  Xavier Robin authored 1 year ago
  
  a9f5bf0d
- doc: SCHWED-6108 improved comments on chain_type · ddc30445
  Xavier Robin authored 1 year ago
  
  ddc30445
- fix: SCHWED-6108 read other as CHAINTYPE_POLY · 5e2626ed
  Xavier Robin authored 1 year ago
  5e2626ed
Dec 21, 2023
- mmcif writer: resolve linking errors for certain usages of ChemClass · cf0bc6a1
  Studer Gabriel authored 1 year ago
  cf0bc6a1
Dec 07, 2023
- mmcif writing: improve automated detection of _entity.type/_entity_poly.type · cc7da76f
  Studer Gabriel authored 1 year ago
  cc7da76f
Nov 22, 2023
- mmcif writer: write _entity, _struct_asym, _entity_poly_seq categories · 352335f1
  Studer Gabriel authored 1 year ago
  
  352335f1
Jul 27, 2023
- fix: SCHWED-4345 fix validity of views too · 3a67511d
  Xavier Robin authored 1 year ago
  
  3a67511d
- doc: SCHWED-4345 add note on memory management · 1f1713a4
  Xavier Robin authored 1 year ago
  
  1f1713a4
- fix: SCHWED-4345 allow returning null pointer. · 9215b6e7
  Xavier Robin authored 1 year ago
  9215b6e7
- refactor: SCHWED-4345 use same logic for IsValid and CheckValidity · c117aa66
  Xavier Robin authored 1 year ago
  c117aa66
- refactor: SCHWED-4345 move IsValid to the implementation · 3a8a2360
  Xavier Robin authored 1 year ago
  
  3a8a2360
Jul 26, 2023
- fix: SCHWED-4345 check pointers before returning · c454b5c7
  Xavier Robin authored 1 year ago
  c454b5c7
Jul 10, 2023
- bugfix: setting an element wiped previsouly set attributes · 4fe31b58
  Studer Gabriel authored 1 year ago
  4fe31b58
Jul 07, 2023
- doc: fix sphinx warnings about duplicate object description · 061412e7
  Xavier Robin authored 1 year ago
  
  061412e7
- doc: cleanup formatting · 4a1815f1
  Xavier Robin authored 1 year ago
  
  4a1815f1
- doc: link to generic properties · fb2e12f7
  Xavier Robin authored 1 year ago
  
  fb2e12f7
- doc: typo · 4a471550
  Xavier Robin authored 1 year ago
  
  4a471550
- doc: add missing functions/methods from entity view · 39dbfd55
  Xavier Robin authored 1 year ago
  
  39dbfd55
- doc: add sub headings to facilitate navigation · 84b7360c
  Xavier Robin authored 1 year ago
  
  84b7360c
Jul 06, 2023
- doc: add ViewForHandle · 8b581de8
  Xavier Robin authored 1 year ago
  
  8b581de8
May 30, 2023
- doc: SEQRES no longer needed. · 94ba93d6
  Xavier Robin authored 1 year ago
  94ba93d6
May 25, 2023
- BUGFIX: FindResidue with a ost.mol.ResNum containing ins code · 53fc5c9b
  Studer Gabriel authored 1 year ago
  53fc5c9b
- add GetHashCode function to ost::mol::EntityHandle · d6c195b6
  Studer Gabriel authored 1 year ago
  
  d6c195b6
May 02, 2023
- doc: clarify AppendResidue can take a residue handle · 5df9cf1a
  Xavier Robin authored 2 years ago
  
  5df9cf1a
- fix: copy ChainType and Description from view chains · f1a4ada3
  Xavier Robin authored 2 years ago
  
  f1a4ada3
- fix: segfault if 'include_exlusive_atoms' argument is named · f2037b6d
  Xavier Robin authored 2 years ago
  
  f2037b6d
Mar 29, 2023
- test: test behavior of invalid handles in Python · 6bc74735
  Xavier Robin authored 2 years ago
  
  6bc74735
- fix: consistent behavior of GetHashCode/hash_code · 24d74d13
  Xavier Robin authored 2 years ago
  24d74d13
- fix: guard against invalid handles · 98e4ebc9
  Xavier Robin authored 2 years ago
  98e4ebc9
Feb 21, 2023
- define __hash__ for ResNum makes it usable as key in a dict · 1222848b
  Studer Gabriel authored 2 years ago
  
  1222848b
Feb 01, 2023
- fix: SCHWED-5783 make element uppercase by convention · 1494e7dd
  Xavier Robin authored 2 years ago
  1494e7dd
Jan 26, 2023
- doc: atom_count and bond_count · 2ccbc7c4
  Xavier Robin authored 2 years ago
  2ccbc7c4
- doc: omega_torsion · d80436be
  Xavier Robin authored 2 years ago
  
  d80436be
- doc: geometric_center · b8e84dee
  Xavier Robin authored 2 years ago
  
  b8e84dee
- doc: consistently have .handle as first attribute in Views · 5ee7d1d2
  Xavier Robin authored 2 years ago
  
  5ee7d1d2
- doc: improve indexing · fb474fc6
  Xavier Robin authored 2 years ago
  
  fb474fc6
- doc: cleanup · 3564f922
  Xavier Robin authored 2 years ago
  
  3564f922
- doc: qualified_name on residues · b97f1c27
  Xavier Robin authored 2 years ago
  
  b97f1c27
- doc: qualified_name is not guaranteed to be unique · c46b7142
  Xavier Robin authored 2 years ago
  
  c46b7142
Jan 24, 2023
- doc: SCHWED-5783 document deep on AppendResidue · fad45b23
  Xavier Robin authored 2 years ago
  
  fad45b23