Skip to content

Fix build failure caused by lack of mmCif format short description #447

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
jpkrowe wants to merge 1 commit into
base: develop
Choose a base branch
from
Open

Fix build failure caused by lack of mmCif format short description #447

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
1 change: 1 addition & 0 deletions doc/source/scripts/core.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,7 @@

DESCRIPTIONS = {
"CHEMFILES": "use readers from `chemfiles <https://chemfiles.org/>`_ library",
"CIF": "PDBx/mmCIF file",
"CRD": "CHARMM CARD file",
"CONFIG": "DL_Poly CONFIG file",
"COOR": "NAMD binary restart file",
Expand Down
2 changes: 1 addition & 1 deletion doc/source/scripts/gen_format_overview_classes.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -46,7 +46,7 @@ def _create_key(fmt: str, handlers: dict[HANDLER_T, Type[Any]]) -> str:
if fmt in DESCRIPTIONS:
key = fmt
else:
key = list(handlers.values())[0].format[0]
key = list(handlers.values())[0].format[0].upper()

# raise an informative error
if key not in DESCRIPTIONS:
Expand Down
56 changes: 56 additions & 0 deletions doc/source/scripts/tests/snapshot/__snapshots__/test_gen_format_overview_classes.ambr
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,18 @@
'',
'',
]),
list([
':ref:`CIF <CIF-format>`',
'PDBx/mmCIF file',
'',
'',
]),
list([
':ref:`CIF.GZ <CIF-format>`',
'PDBx/mmCIF file',
'',
'',
]),
list([
':ref:`CONFIG <CONFIG-format>`',
'DL_Poly CONFIG file',
Expand Down Expand Up @@ -133,6 +145,18 @@
'',
'',
]),
list([
':ref:`MMCIF <CIF-format>`',
'PDBx/mmCIF file',
'',
'',
]),
list([
':ref:`MMCIF.GZ <CIF-format>`',
'PDBx/mmCIF file',
'',
'',
]),
list([
':ref:`MMTF <MMTF-format>`',
'MMTF file',
Expand Down Expand Up @@ -291,6 +315,22 @@
'✓',
'✓',
]),
list([
':ref:`CIF <CIF-format>`',
'PDBx/mmCIF file',
'✓',
'✓',
'✓',
'',
]),
list([
':ref:`CIF.GZ <CIF-format>`',
'PDBx/mmCIF file',
'✓',
'✓',
'✓',
'',
]),
list([
':ref:`CONFIG <CONFIG-format>`',
'DL_Poly CONFIG file',
Expand Down Expand Up @@ -459,6 +499,22 @@
'✓',
'',
]),
list([
':ref:`MMCIF <CIF-format>`',
'PDBx/mmCIF file',
'✓',
'✓',
'✓',
'',
]),
list([
':ref:`MMCIF.GZ <CIF-format>`',
'PDBx/mmCIF file',
'✓',
'✓',
'✓',
'',
]),
list([
':ref:`MMTF <MMTF-format>`',
'MMTF file',
Expand Down
Loading