27 Commits

Author SHA1 Message Date
Jarrett Johnson
fbfda4a257 Replace NULL with nullptr 2024-05-20 09:07:33 -04:00
Jarrett Johnson
74894e01da Generic CGO Render 2022-03-08 15:16:16 -05:00
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
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
Thomas Holder
7833037c5e CGOOptimizeToVBO: Call CGOCombineBeginEnd
CGOOptimizeToVBONotIndexed and CGOOptimizeToVBOIndexed will
automatically call CGOCombineBeginEnd if the input CGO has Begin/End
operations. They will also set `use_shader` on the CGO.

Fixes `set cgo_debug; wizard demo, raster3d`

Eliminate various CGOFree calls by using unique_ptr.
2020-12-11 13:01:38 +01:00
Thomas Holder
2c43bac511 Fix PYMOL-3578 Rep::hasTransparency()
Track the "rep has transparency" information with a flag which is set
during CGO building. Fixes CoordSet::render() which was trying to get
this information from the object-state-level setting.
2020-12-11 12:59:34 +01:00
Jarrett Johnson
4431dd0ce2 Settings copied on object copy 2020-10-16 11:07:17 +02:00
Thomas Holder
08c9dff871 PYMOL-3533 Refactor Rep as polymorphic type (2)
Part 2: virtual member functions
2020-09-30 09:46:26 +02:00
Thomas Holder
2d145d2e0f PYMOL-3533 Refactor Rep as polymorphic type (1)
Part 1: virtual destructor
2020-09-30 09:26:20 +02:00
Thomas Holder
cc69c21605 refactor: use more atmToIdx() and coordPtr() 2020-03-13 09:16:52 +01:00
Thomas Holder
48a9994774 refactor: CoordSet CObjectState inheritance 2020-02-26 19:16:54 +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
Nandini Naidu
7dc7091a40 Converted C VLAs to C++ VLAs, managed combination C and C++ memmory allocation issues. 2019-08-13 16:33:10 +02:00
Jarrett Johnson
37f95ef227 ObjectMolecule proper C++ inheritance 2019-03-29 13:04:12 +01:00
Thomas Holder
5e04325863 cleanup (local/unused function declarations) 2019-02-06 15:43:14 +01:00
Jarrett Johnson
fde67f2d9b PYMOL-3098 ScenePickVLA Refactor 2018-11-15 16:44:02 +01:00
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
f4582bbfcb pse_binary_dump, get_sasa_relative, color_deep, ...
- experimental setting "pse_binary_dump"
- get_sasa_relative (command ported from Incentive PyMOL)
- Color menu uses util.color_deep (ported from Incentive PyMOL)
- C > by rep (ported from Incentive PyMOL)
- fix crash when saving mesh PSE without map
- fix isosurface invalidation when setting surface_negative_visible
2016-04-17 02:00:50 +00:00
Thomas Holder
9f53f30e47 segi, resn, name of arbitrary length; settings in iterate/alter
* support segi, resn and name of arbitrary string length
* expose settings to iterate/alter via "s.<name>"
* Python 3 compatibility for champ module
* apbs_tools: apply fixes from Pymol-script-repo
2015-12-14 19:11:12 +00:00
Thomas Holder
7452ac469b 1.7.7.2
* cif_keepinmemory, pymol.querying.cif_get_array (experimental)
* ramp_update (new command)
* ramp objects now have "A > Range > ..." and "C > ..." menus
* mmCIF _chem_comp_atom: skip atoms with missing coordinates, prefer ideal over model coordinates
* cmd.set_key() decorator support
2015-08-12 16:45:05 +00:00
Thomas Holder
96ecb7132c removed obsolete code
- removed obsolete code and settings: use_display_lists, simplify_display_lists, excl_display_lists_shaders
- rename _PYMOL_OPENGL_SHADERS -> _PYMOL_ARB_SHADERS
2015-03-23 19:21:11 +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
f42840260b c++ for all PyMOL c files
- renaming files c -> cpp
- c++ specific syntax (::)
2014-09-08 13:42:11 +00:00