15 Commits

Author SHA1 Message Date
Jarrett Johnson
fbfda4a257 Replace NULL with nullptr 2024-05-20 09:07:33 -04:00
Thomas Holder
ee770f7937 Refactor: Some stronger typing (enum class, const)
- enum class cCylCap
- enum class ss_t (RepCartoon)
- const
2020-09-03 09:58:06 +02:00
Thomas Holder
6473db894a collada_geometry_mode = 1: skip <unit> tag
Blender can't handle Angstrom scaled models
2020-07-03 14:56:00 +02:00
Thomas Holder
90939028a3 const correctness for Color.cpp 2018-07-03 20:31:13 +02:00
Thomas Holder
7d2bb243e6 restore r4188
r4188 was published on 2018-04-10 but lost after a sourceforge storage problem.
See for example https://sourceforge.net/p/forge/site-support/17420/

2.2.0a0 (unstable/experimental)

* sf.net/p/pymol/bugs/199 bash -> sh
* ignore zero-order bonds in neighbor lookup
* fix crash loading reduced 5ijo.mmtf
* volume panel: fix zoom (CTRL+R-Drag) and value input (R-Click)
* QOpenGLWidget support (not active by default)
* --gldebug -> backtrace on GL error
2018-05-02 06:32:39 +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
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
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
0ca9087d31 collada_background_box, ...
- new setting: collada_background_box (by Jared Sampson)
- improve unicode filename loading
- fix "unset" of non-numeric settings
2016-03-27 19:48:42 +00:00
Thomas Holder
9686cfea0e 1.8.1.2 2016-03-21 21:20:36 +00:00
Thomas Holder
59d84a385b assembly fix, ref count fix, ...
* fix assemblies for cases like 4f3r which have multiple entries in the _pdbx_struct_assembly_gen table
* fix ref counts in iterate/alter subscripts
* improve side_chain_helper and nucleic_adic_mode situation
* eliminate all "try/catch" blocks for std::map lookups
* clean up some MemoryDebug stuff and remove unused jenarix wrapper
2015-06-23 14:07:26 +00:00
Thomas Holder
82c677e8c9 1.7.7.1 (unstable/experimental)
* change default (!) of "ignore_case" setting to off. Case insensitve
  identifier matching is not practical anymore with large structures
  which use upper and lower case chain identifiers.

* new setting "assembly" to load assemblies from mmCIF as multi-state
  objects with all_states=1

* new setting "cif_use_auth" controls whether mmCIF "auth" identifiers
  are used or not (on by default)

* mmCIF "CA/P ATOMS ONLY" chains: set atom-level cartoon_trace_atoms
  and ribbon_trace_atoms

* CIF discrete and irregular multi-model loading support

* support "pdb_honor_model_number" setting for CIF

* load multiple objects ("data_" blocks) from one CIF file (multiplex=-1)

* don't store AtmToIdx, DiscreteAtmToIdx or DiscreteCSet to PSE
  (unless pse_export_version <= 1.76)
2015-05-20 18:26:53 +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
471f0dceee minor fixes
- fix collada_* settings in pymol.settings
- fix apbs_tools for tcl/tk 8.6
- fix fullscreen on OSX w/ GLUT
- silence compiler warnings
2014-11-04 14:58:32 +00:00
Thomas Holder
d49749c895 COLLADA (dae) export support
Implemented by Jared Sampson as his POSF project.
2014-10-19 20:21:54 +00:00