13 Commits

Author SHA1 Message Date
Jarrett Johnson
fbfda4a257 Replace NULL with nullptr 2024-05-20 09:07:33 -04:00
Jarrett Johnson
07d7a790f0 Forward decls/Move headers to source 2021-08-20 11:24:10 -04:00
Jarrett Johnson
65835f9991 Remove OOMac 2021-07-07 12:03:25 -04:00
Cole French
73fdcdaca6 Add new file streaming API 2019-08-13 15:59:49 +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
999ceebbe8 1.8.3.2
* experimental MMTF load support
* map export in CCP4 format
* SDF V3000 import/export support
* refactor molecular file formats export: Unified handling of PDB, PQR, mmCIF, MOL2, SDF, XYZ, MAE
* PLY geometry import (as CGO)
* new command: unset_deep
* new setting: cartoon_all_alt: Create cartoon for every alt code
* stick_h_scale: default=1.0 (was: 0.4) but remove dependency on negative stick_radius
* auto_show_classified: Visualize small (< 50 atoms) polymer classified molecules like organic
* bymol selection operator: ignore zero-order bonds
* menu: isomesh/surface negative color
* improve alignment of residues with unknown resn (e.g. ligands):
  give a match score of 5 to perfect matches of unknown residue codes.
  Previously, those got match score -1.
* remove broken and obsolete "PMO" file support
* use "label_digits" setting with "label" command
* do not resize window when loading a session file
* fix ignored SCALE w/ identity rotation (e.g. 1WAP)
* fix "scene auto, clear" (Scene > Delete)
* new setting: pick_shading: do flat shading for programmable image color analysis
* experimental cmd.raw_image_callback: post cmd.draw() callback
2016-08-30 19:14:39 +00:00
Thomas Holder
d0d46b9a42 PyMOL 1.8.2.0
- fix/silence various compiler warnings
- partly fixes sf#177, sf#178
- fix crash when loading PSE with bg_image_filename
2016-04-19 22:02:24 +00:00
Thomas Holder
2787af79fc byring, distance mode=4, cartoon dash, ...
* distance mode=4: distance between centroids
* byring: new selection operator
* "Distances to Rings" mode in measurement wizard
* basic atom typing for MOL2 export
* cartoon dash: new dashed loop-like cartoon type
* object-level settings for measurements
* iterate: use Python exceptions
* iterate_state: ignore atomic=0 (fixes crash)
* format 'xyzstr': enable .gz and URL loading
* fix crash with object sele length >= 1024
* re-add -Wno-write-strings
* fix pmg_tk.skins.normal.encode()
* fix askopenfilename CANCEL case with multiple=0
2016-01-11 16:56:37 +00:00
Thomas Holder
dad194ad0f Restore scenes "disable" recall behavior...
- scenes: Restore the old behavior that when recalling a scene, all objects
  which were not present when storing the scene are disabled.
- fix auto-complete for filenames with spaces
- fix an object menu panel group ordering problem

Refactoring:
- remove unused variables (Partly applies https://sourceforge.net/p/pymol/bugs/166/)
- lots of: char* -> const char*
- remove inline Parse functions, simplify ParseFloat3List
- make functions static
2015-04-09 21:35:38 +00:00
Thomas Holder
22fdfe3e81 fixed roving detail/density demos, removed unused code
* fixed roving density and roving detail demos (regression from last commit)
  http://sourceforge.net/p/pymol/bugs/156
* fix "narrowing conversion" C++ errors
* removed unused code and preprocessors:
  _PYMOL_GL_DRAWARRAYS
  _PYMOL_GL_CALLLISTS
  _PYMOL_CGO_DRAWARRAYS
  _PYMOL_CGO_DRAWBUFFERS
  OPENGL_ES_1 
  OPENGL_ES_2
* removed deprecated "register" specifier
2015-03-13 22:19:47 +00:00
Thomas Holder
4dd7c7ffd4 SCALEn, numpy, set_state_order, ...
* ignore SCALEn if CRYST1 is 1x1x1 or invalid
* new/refactored API functions for accessing coordinates and maps as numpy arrays
* new API function: cmd.set_state_order
* Session file (PSE) support for callback objects
* fix/silence many compiler warnings
* fix bg_rgb_top/bg_rgb_bottom side effects
* revert "fix setting surface_circumscribe"
* delete some obsolete files
2014-09-17 19:17:56 +00:00
Thomas Holder
4f28b77336 multi-letter chain support 2014-09-08 15:52:34 +00:00
Thomas Holder
f42840260b c++ for all PyMOL c files
- renaming files c -> cpp
- c++ specific syntax (::)
2014-09-08 13:42:11 +00:00