81 Commits

Author SHA1 Message Date
Jarrett Johnson
57daee0b7e Refactor Result to include less across source files 2025-09-26 12:07:31 -04:00
Jarrett Johnson
4e2fcbc8fc PYMOL-5216: grid_slot setting should immediately reassign 2025-09-26 12:07:31 -04:00
Jarrett Johnson
ef9bcd85a1 Remove _PYMOL_IOS (Discontinued; prep for MVK) 2024-08-30 10:05:58 -04:00
Jarrett Johnson
86a87321d8 Replace Win-specific thread count 2024-08-16 17:44:06 -04:00
Jarrett Johnson
97a53fb5cf Remove windows.h inclusion from many headers 2024-08-13 16:11:39 -04:00
Jarrett Johnson
fbfda4a257 Replace NULL with nullptr 2024-05-20 09:07:33 -04:00
Jarrett Johnson
3943835a93 PYMOL-4854: Add cell_color setting for unit cell coloring 2024-05-12 23:07:53 -04:00
Jarrett Johnson
8c232d149d Remove unused headers 2024-01-30 15:51:55 -05:00
Jarrett Johnson
1d9e93d52f PYMOL-3919: Remove OVOneToOne uses 2024-01-30 15:48:01 -05:00
Jarrett Johnson
6bfc590446 PYMOL-4025 ObjectCurve 2024-01-30 15:30:40 -05:00
Thomas Holder
f70c533d01 bg_gradient=2 grid mode 2023-01-04 00:01:43 +09:00
Thomas Holder
85b6ce440a New setting: cell_centered (#259)
Closes https://github.com/schrodinger/pymol-open-source/issues/258
2022-10-05 11:15:15 -04:00
Jarrett Johnson
c63963792c PYMOL-3403: Fix grid_mode not working in batch mode 2022-08-17 15:04:18 -04:00
Thomas Holder
a1ff1459f5 Add fetch_path to is_session_blacklisted
The `fetch_path` setting is usually not meaningful across different
computers. Opening a session file which has `fetch_path` set to a
location which doesn't exist on the current computer will make the
`fetch` command fail to save files.
2021-11-10 02:36:52 -05:00
Jarrett Johnson
07d7a790f0 Forward decls/Move headers to source 2021-08-20 11:24:10 -04:00
Jarrett Johnson
a2b642dc16 Replace OV/VLA (Setting) 2021-07-07 12:14:54 -04:00
Jarrett Johnson
108e698242 InternalGUIMode enum class 2021-04-28 05:31:23 -04:00
Thomas Holder
b85270bc30 PYMOL-3528 isosurface with VTKm
New setting: isosurface_algorithm
2021-04-28 05:17:34 -04:00
Thomas Holder
6f77e5efb0 GIL pre-conditions 2021-04-28 05:15:35 -04:00
Thomas Holder
0a2d12c8fb Fix PYMOL-3612 set atom-level settings w/ WebPyMOL 2021-03-26 13:45:05 +01:00
Jarrett Johnson
355c45d229 Place CObject in pymol namespace 2021-02-11 19:14:06 +01:00
Thomas Holder
63c1796bc0 StateIndex_t, StateIndexPython_t 2021-01-14 15:36:48 +01:00
Thomas Holder
dc2aff4133 Refactor: Doxygen comments, ObjectMoleculeUpdateNeighbors
- Use proper doxygen syntax for all function comments
- ObjectMoleculeUpdateNeighbors allow const argument
- Remove obsolete ObjectMolecule::BondCounter
2021-01-14 15:23:06 +01:00
Jarrett Johnson
4431dd0ce2 Settings copied on object copy 2020-10-16 11:07:17 +02:00
Thomas Holder
29a32cb944 New cartoon_smooth_cylinder_* settings
cartoon_smooth_cylinder_cycles
cartoon_smooth_cylinder_window
2020-09-30 09:47:00 +02:00
Thomas Holder
832d57e199 Refactor CSetting copying
- Fixes alloc-dealloc-mismatch
- Fixes menu upates on reinitialize (PYMOL-3529)
2020-09-30 09:22:30 +02:00
Thomas Holder
9f8e820631 PYMOL-3520 unset restores default
The "unset" command now restores the default in all situations,
including global numeric settings with non-zero default value.

This is a breaking change in the API! The deprecation warning was active
since PyMOL 1.8.0.
2020-09-22 11:14:17 +02:00
Jarrett Johnson
5bdbb0df12 Copy object settings for ObjectMolecule 2020-09-22 11:01:08 +02:00
Thomas Holder
6ec863d992 sphere_mode 10 and 11 stubs 2020-08-04 13:07:12 +02:00
Thomas Holder
3a20c34505 Fix PYMOL-3485 PYMOL-3486 partial PSE colors
When loading a partial PSE:
- Convert color indices in atom-level (and other "unique") settings
- Convert ramp (ext color) indices
2020-07-15 17:49:00 +02:00
Thomas Holder
d894c75eca Add pymol._cmd.get_setting_level() 2020-07-03 15:27:56 +02:00
Thomas Holder
737cd4f65f CObject::getCurrentState refactoring
fixes:
PYMOL-3388
PYMOL-3390
PYMOL-3391
2020-03-13 09:09:38 +01:00
Thomas Holder
a188383b2b refactor color picking, add cPickableThrough
cPickableThrough for transparency_picking_mode (spheres only so far)
2019-11-27 14:44:28 +01:00
Thomas Holder
276640cd29 Port EPAM's VR fork to PyMOL 2.4
Porting the essential parts of EPAM System's "openvr" branch to the
master branch.

Original authors:
Natalia Smirnova, EPAM Systems, Inc.
Pavel Smirnov, EPAM Systems, Inc.

Original fork:
https://github.com/epam/pymol-open-source/tree/openvr

Adjustments:
- Make feature optional with "--openvr" compile option
- Python 3 support
- Remove C++11 workarounds
- Exclude build system changes

Co-authored-by: Natalia Smirnova <Natalia_Smirnova@epam.com>
Co-authored-by: Pavel Smirnov <pavel_smirnov1@epam.com>
2019-11-11 00:50:01 -08:00
Thomas Holder
75f06a974e CObject function pointers -> virtual methods 2019-10-29 16:24:12 +01:00
Thomas Holder
30dfb024de pymol::pretty_f2d for get_setting_float et al. 2019-10-29 15:56:59 +01:00
Thomas Holder
3bd9c8eddc remove --retina option 2019-04-23 16:40:07 +02:00
Thomas Holder
b59ce09d8a refactor: pymol::malloc<T>
- use typed/namespaced malloc wrapper
- remove Alloc et al.
- remove mmalloc et al.
- remove CINTERFACE define
2019-02-21 17:41:58 +01:00
Thomas Holder
cc7a2ef9fd PYMOL-3181 precomputed_lighting for Windows
Unconditionally set the setting
2019-01-18 10:03:18 +01:00
Thomas Holder
c481a7c104 fix SettingUniqueFromPyList w/ float3 2018-12-14 14:56:07 +01:00
Jarrett Johnson
7960f0db30 PYMOL-3102 pymol::Image 2018-12-10 21:15:17 +01:00
Jarrett Johnson
998920e81f PYMOL-32 New Sequence Viewer mode: Gap mode 2018-08-16 18:49:56 +02:00
Thomas Holder
90939028a3 const correctness for Color.cpp 2018-07-03 20:31:13 +02:00
Thomas Holder
f21c61958e Graphics refactoring, ported from Incentive PyMOL 2018-07-03 20:19:12 +02:00
Thomas Holder
1742d75d13 anaglyph batch mode, all_states measurements, ...
* fix anaglyph stereo in batch (headless) mode
* fix possible memory corruption with boolean settings
* measurement wizard: distances between states (all_states=on)
* get_fastastr: nucleic acid, by chain
* menu: A (Action) > group
* sequence viewer menu: ss (Secondary Structure)
* MAE export of groups (s_m_subgroupid)
* macOS: -O3 -fno-strict-aliasing (bugs/205)
2018-05-03 14:46:44 +00:00
Thomas Holder
4bbe42513c stick_round_nub, UTF-8, display_scale_factor, ...
* stick_round_nub for COLLADA export
* UTF-8 in feedback
* display_scale_factor (ported from Incentive PyMOL)
* dx map import: support "type float" and skewed delta
2018-02-28 13:16:16 +00:00
Thomas Holder
e2df29a2ee polymer.protein polymer.nucleic multifilesave ...
* new selection keywords: polymer.protein polymer.nucleic
* new command: multifilesave
* MMTF export (requires simplemmtf python module)
* select: present, state -1 -> current object state
* create: source_state = -1 -> current
  (was: source_state = -1/0 -> all)
* cif: support quoted '?' and '.' as values
  cif_get_array -> None instead of empty string for ? and .
* fix copy discrete object w/o coords
* fix loading pdbqr AutoDock 4 atom types
* fix get_model('none') and get_str('mol', 'none')
* h_add refactored: 5x faster, support discrete objects
2018-02-07 15:44:17 +00:00
Thomas Holder
5acb6c4637 py37, align alt, flag 6+7
* Python 3.7 support (https://sf.net/p/pymol/bugs/197/)
* enable align with alt-codes
  - allow matching of non-alt-code to alt-code atoms in alignments
  - swap sorting priority of 'name' and 'alt' identifiers
  - sort empty 'alt' before non-empty 'alt'
* flags 6 and 7 for protein and nucleic acid
* mmCIF: read _atom_site.pdbx_formal_charge
* improve coordinate loading from mmcif chem_comp files
  - ignore columns with all ? (missing) values
  - select columns with "chem_comp_cartn_use" setting
* fix h_add: skip missing coordinates
2017-12-21 12:50:47 +00:00
Thomas Holder
3c78ffc986 pymol/bugs/196, pmw/bugs/47
* fix elements from .gro files (pymol/bugs/196, r4181 regression)
* save .mtl: raise exception
* Python 3:
  - fix "GUI Font Size" dialog (pmw/bugs/47)
  - fix COLLADA export
2017-11-15 14:40:53 +00:00
Thomas Holder
520bf2a72a 1.9.0.0
* use PyMOL 2.0 setting defaults
* L > residues (oneletter)
* fix py3 crash in "A > copy to object"
* fix scene object visibility with hidden groups
* fix "ending" after loading movie session
2017-10-18 17:21:19 +00:00