30 Commits

Author SHA1 Message Date
Jarrett Johnson
83f11bc317 More Replace NULL with nullptr 2024-06-02 20:44:43 -04:00
Jarrett Johnson
fbfda4a257 Replace NULL with nullptr 2024-05-20 09:07:33 -04:00
Jarrett Johnson
8c232d149d Remove unused headers 2024-01-30 15:51:55 -05:00
Jarrett Johnson
1f94226f5f PYMOL-3726 Update surface color on ramp rename 2022-05-04 15:54:40 -04:00
Jarrett Johnson
7ab93eaee4 PYMOL-3855 Fix saving colors with null names 2022-05-04 15:54:36 -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
Thomas Holder
346f1ed6f0 PYMOL-3487 partial session file ramp replacement
Allow replacing color ramps by loading a partial session file.
Fixes auto_rename_duplicate_objects=off case of PYMOL-3487.
2020-09-22 11:14:06 +02:00
Thomas Holder
c92119b029 Ext color partial load fixes and refactoring
- Refactor some typing in CColor
- Fix duplication of CColor::Ext entries when loading partial session
  files with the same ramp reference
2020-09-22 11:13:41 +02:00
Thomas Holder
c0de1bb480 Refactor: reg_named_color macro 2020-09-22 11:06:12 +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
b57f131940 -Wunused-variable 2019-11-27 13:18:08 +01:00
Jarrett Johnson
4148c8a01f basis for pymol lib 2019-08-13 15:25:47 +02:00
Thomas Holder
d1359f125d refactor: Eliminate CColor::Lex 2019-03-29 13:40:11 +01:00
Jarrett Johnson
224264c714 Replace CColor::Idx type to std::unordered_map 2019-03-29 13:36:26 +01:00
Thomas Holder
0dcfcc8344 clang-tidy modernize-loop-convert 2019-01-18 10:03:28 +01:00
Thomas Holder
d27b00e936 refactor: pymol::Image tweaks 2018-12-14 13:33:26 +01:00
Jarrett Johnson
7960f0db30 PYMOL-3102 pymol::Image 2018-12-10 21:15:17 +01:00
Thomas Holder
4f3c781a74 cleanup: compiler warnings
-Wdangling-else
-Wmisleading-indentation
-Wmismatched-tags
-Wparentheses
-Wsometimes-uninitialized
-Wunused-but-set-variable
-Wunused-function
-Wunused-label
-Wunused-variable
2018-08-16 19:00:17 +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
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
d670a54dd1 fix crash and memory leaks
- fix memory leaks with iterate/alter
- fix crash when saving PSE with deleted ramp
2015-04-30 22:19:27 +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
5cbfe6b0d4 fix invalid memory access during PyMOL_Stop
- https://sourceforge.net/p/pymol/bugs/162/
  - Free ShaderMgr after Scene
  - check (G != NULL) in MainOnExit
- https://sourceforge.net/p/pymol/bugs/161/
  apply clang logical-op-parentheses suggestion
- more `const char *` arguments refactoring
2015-03-16 18:58:36 +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
9bb5c2d971 1.7.5.0 (unstable/experimental)
* mmCIF _atom_sites.fract_transf support (SCALEn equivalent)
* Complete port of scenes to C++
* warn user if setting a setting on the wrong level
* cmd.extendaa: shortcut for cmd.extend with argument auto-completion
* reduced memory footprint of AtomInfoType
* expose "reps" to iterate/alter
* expose "protons" to iterate/alter
* adaptive cartoon quality and sampling, depending on number of atoms
* fix ring center color with cartoon_ring_color=default
* make SelectorGetTmp strictly molecular, fixes for example "dss" with group names
* fix "copy" can cause crash
* fix "custom" selection operator
* consider spec_count in shaders
* don't invalidate shaders for lighting settings
* don't disable shaders for all Intel chips
* don't touch sphere_mode when disabling shaders
* map_new buffer == -1 -> gaussian_resolution
* fix all_states picking
* remove cylinder_shader_ff_workaround and cylinders_shader_filter_faces
* remove unused gl_ambient setting
* fix Tcl/Tk menu settings logging
* fix: grid mode scales down label size incorrectly
* fix: no animate argument for cmd.origin
* fix side_chain_helper for hetatm polymer atoms
* fix .mmd export
* refactor many function to take "const" pointer arguments
2015-03-12 17:44:19 +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
f42840260b c++ for all PyMOL c files
- renaming files c -> cpp
- c++ specific syntax (::)
2014-09-08 13:42:11 +00:00