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py_molrep.C File Reference

#include "py_commands.h"
#include "VMDApp.h"

Go to the source code of this file.

Functions

int valid_rep (int rep, int molid, VMDApp *app)
PyObject * py_molrep_num (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_addrep (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_delrep (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_get_style (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_get_selection (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_get_color (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_get_material (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_get_scaleminmax (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_set_scaleminmax (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_reset_scaleminmax (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_modrep (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_get_repname (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_repindex (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_get_autoupdate (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_set_autoupdate (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_get_colorupdate (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_set_colorupdate (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_get_smoothing (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_set_smoothing (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_get_visible (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * py_set_visible (PyObject *self, PyObject *args, PyObject *kwargs)
PyObject * initmolrep (void)

Variables

const char num_doc []
const char addrep_doc []
const char delrep_doc []
const char style_doc []
const char select_doc []
const char color_doc []
const char material_doc []
const char get_scale_doc []
const char set_scale_doc []
const char reset_doc []
const char modrep_doc []
const char repname_doc []
const char repindex_doc []
const char autoupdate_doc []
const char set_autoupdate_doc []
const char cupdate_doc []
const char set_cupdate_doc []
const char get_smooth_doc []
const char set_smooth_doc []
const char visible_doc []
const char set_visible_doc []
PyMethodDef methods []
const char rep_moddoc []

Function Documentation

PyObject* initmolrep (  void    ) 
 

Definition at line 771 of file py_molrep.C.

References methods, and rep_moddoc.

PyObject* py_addrep (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 70 of file py_molrep.C.

References as_pyint, get_vmdapp, VMDApp::molecule_addrep, VMDApp::molecule_set_color, VMDApp::molecule_set_material, VMDApp::molecule_set_selection, VMDApp::molecule_set_style, NULL, VMDApp::num_molreps, and valid_molid.

PyObject* py_delrep (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 122 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_delete, NULL, valid_molid, and valid_rep.

PyObject* py_get_autoupdate (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 485 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_get_selupdate, NULL, result, valid_molid, and valid_rep.

PyObject* py_get_color (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 206 of file py_molrep.C.

References as_pystring, get_vmdapp, VMDApp::molrep_get_color, NULL, valid_molid, and valid_rep.

PyObject* py_get_colorupdate (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 551 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_get_colorupdate, NULL, valid_molid, and valid_rep.

PyObject* py_get_material (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 232 of file py_molrep.C.

References as_pystring, get_vmdapp, VMDApp::molrep_get_material, NULL, valid_molid, and valid_rep.

PyObject* py_get_repname (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 415 of file py_molrep.C.

References as_pystring, get_vmdapp, VMDApp::molrep_get_name, NULL, valid_molid, and valid_rep.

PyObject* py_get_scaleminmax (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 259 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_get_scaleminmax, NULL, valid_molid, and valid_rep.

PyObject* py_get_selection (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 180 of file py_molrep.C.

References as_pystring, get_vmdapp, VMDApp::molrep_get_selection, NULL, valid_molid, and valid_rep.

PyObject* py_get_smoothing (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 617 of file py_molrep.C.

References as_pyint, get_vmdapp, VMDApp::molrep_get_smoothing, NULL, valid_molid, and valid_rep.

PyObject* py_get_style (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 154 of file py_molrep.C.

References as_pystring, get_vmdapp, VMDApp::molrep_get_style, NULL, valid_molid, and valid_rep.

PyObject* py_get_visible (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 678 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_is_shown, NULL, valid_molid, and valid_rep.

PyObject* py_modrep (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 366 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_set_color, VMDApp::molrep_set_material, VMDApp::molrep_set_scaleminmax, VMDApp::molrep_set_selection, VMDApp::molrep_set_style, NULL, valid_molid, and valid_rep.

PyObject* py_molrep_num (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 40 of file py_molrep.C.

References as_pyint, get_vmdapp, NULL, VMDApp::num_molreps, and valid_molid.

PyObject* py_repindex (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 450 of file py_molrep.C.

References as_pyint, get_vmdapp, VMDApp::molrep_get_by_name, NULL, and valid_molid.

PyObject* py_reset_scaleminmax (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 326 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_reset_scaleminmax, NULL, valid_molid, and valid_rep.

PyObject* py_set_autoupdate (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 516 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_set_selupdate, NULL, valid_molid, and valid_rep.

PyObject* py_set_colorupdate (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 582 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_set_colorupdate, NULL, valid_molid, and valid_rep.

PyObject* py_set_scaleminmax (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 292 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_set_scaleminmax, NULL, valid_molid, and valid_rep.

PyObject* py_set_smoothing (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 643 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_set_smoothing, n, NULL, valid_molid, and valid_rep.

PyObject* py_set_visible (  PyObject *    self,
PyObject *    args,
PyObject *    kwargs
)  [static]
 

Definition at line 707 of file py_molrep.C.

References get_vmdapp, VMDApp::molrep_show, n, NULL, valid_molid, and valid_rep.

int valid_rep (  int    rep,
int    molid,
VMDApp *    app
)  [static]
 

Definition at line 25 of file py_molrep.C.

References VMDApp::num_molreps.

Referenced by py_delrep, py_get_autoupdate, py_get_color, py_get_colorupdate, py_get_material, py_get_repname, py_get_scaleminmax, py_get_selection, py_get_smoothing, py_get_style, py_get_visible, py_modrep, py_reset_scaleminmax, py_set_autoupdate, py_set_colorupdate, py_set_scaleminmax, py_set_smoothing, and py_set_visible.

Variable Documentation

const char addrep_doc[] [static]
 

Initial value:

"Add a representation to the molecule. If optional arguments are not\n"
"specified, they default to whatever the previously added representation has.\n"
"Args:\n"
"    molid (int): Molecule ID to add represenation to\n"
"    style (str): Representation style (like 'NewCartoon'), optional\n"
"    color (str): Coloring method (like 'ColorID 1' or 'Type'), optional\n"
"    selection (str): Atoms to apply representation to, optional\n"
"    material (str): Material for represenation (like 'Opaque')\n"
"Returns:\n"
"    (int): Index of added representation"

Definition at line 59 of file py_molrep.C.

const char autoupdate_doc[] [static]
 

Initial value:

"Get if representation automatically updates its atom selection\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"Returns:\n"
"    (bool): Status of autoupdate"

Definition at line 478 of file py_molrep.C.

const char color_doc[] [static]
 

Initial value:

"Get the coloring scheme associated with a representation\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"Returns:\n"
"    (str): Coloring scheme, like 'Type' or 'ColorID 5'"

Definition at line 199 of file py_molrep.C.

const char cupdate_doc[] [static]
 

Initial value:

"Query if the representations color automatically updates\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"Returns:\n"
"    (bool): If colorupdate is set"

Definition at line 544 of file py_molrep.C.

const char delrep_doc[] [static]
 

Initial value:

"Delete a representation\n\n"
"Args:\n"
"    molid (int): Molecule ID to delete representation from\n"
"    rep (int): Representation index to delete\n"

Definition at line 117 of file py_molrep.C.

const char get_scale_doc[] [static]
 

Initial value:

"Get the minimum and maximum color scale values for a representation\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"Returns:\n"
"    (2-tuple of float): (min, max) color scale values"

Definition at line 252 of file py_molrep.C.

const char get_smooth_doc[] [static]
 

Initial value:

"Get the number of frames over which a representation is smoothed\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"Returns:\n"
"    (int): Number of frames representation is smoothed over"

Definition at line 610 of file py_molrep.C.

const char material_doc[] [static]
 

Initial value:

"Get the material associated with a representation\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"Returns:\n"
"    (str): Material used, like 'Opaque'"

Definition at line 225 of file py_molrep.C.

PyMethodDef methods[] [static]
 

Initial value:

 {
  {"num", (PyCFunction)py_molrep_num, METH_VARARGS | METH_KEYWORDS, num_doc},
  {"addrep", (PyCFunction)py_addrep, METH_VARARGS | METH_KEYWORDS, addrep_doc},
  {"delrep", (PyCFunction)py_delrep, METH_VARARGS | METH_KEYWORDS, delrep_doc},
  {"get_style", (PyCFunction)py_get_style, METH_VARARGS | METH_KEYWORDS, style_doc},
  {"get_color", (PyCFunction)py_get_color, METH_VARARGS | METH_KEYWORDS, color_doc},
  {"get_selection", (PyCFunction)py_get_selection, METH_VARARGS | METH_KEYWORDS, select_doc},
  {"get_material", (PyCFunction)py_get_material, METH_VARARGS | METH_KEYWORDS, material_doc},
  {"modrep", (PyCFunction)py_modrep, METH_VARARGS | METH_KEYWORDS, modrep_doc},
  {"get_repname", (PyCFunction)py_get_repname, METH_VARARGS | METH_KEYWORDS, repname_doc},
  {"repindex", (PyCFunction)py_repindex, METH_VARARGS | METH_KEYWORDS, repindex_doc},
  {"get_autoupdate", (PyCFunction)py_get_autoupdate, METH_VARARGS | METH_KEYWORDS, autoupdate_doc},
  {"set_autoupdate", (PyCFunction)py_set_autoupdate, METH_VARARGS | METH_KEYWORDS, set_autoupdate_doc},
  {"get_scaleminmax", (PyCFunction)py_get_scaleminmax, METH_VARARGS | METH_KEYWORDS, get_scale_doc},
  {"set_scaleminmax", (PyCFunction)py_set_scaleminmax, METH_VARARGS | METH_KEYWORDS, set_scale_doc},
  {"reset_scaleminmax", (PyCFunction)py_reset_scaleminmax, METH_VARARGS | METH_KEYWORDS, reset_doc},
  {"get_colorupdate", (PyCFunction)py_get_colorupdate, METH_VARARGS | METH_KEYWORDS, cupdate_doc},
  {"set_colorupdate", (PyCFunction)py_set_colorupdate, METH_VARARGS | METH_KEYWORDS, set_cupdate_doc},
  {"get_smoothing", (PyCFunction)py_get_smoothing, METH_VARARGS | METH_KEYWORDS, get_smooth_doc},
  {"set_smoothing", (PyCFunction)py_set_smoothing, METH_VARARGS | METH_KEYWORDS, set_smooth_doc},
  {"get_visible", (PyCFunction)py_get_visible, METH_VARARGS | METH_KEYWORDS, visible_doc},
  {"set_visible", (PyCFunction)py_set_visible, METH_VARARGS | METH_KEYWORDS, set_visible_doc},
  {NULL, NULL}
}

Definition at line 730 of file py_molrep.C.

Referenced by initmolrep.

const char modrep_doc[] [static]
 

Initial value:

"Modify properties of a representation. Any number of optional arguments may\n"
"be specified.\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to modify\n"
"    style (str): Representation style (like 'NewCartoon'), optional\n"
"    color (str): Coloring method (like 'ColorID 1' or 'Type'), optional\n"
"    selection (str): Atoms to apply representation to, optional\n"
"    material (str): Material for represenation (like 'Opaque')\n"
"    scaleminmax (2-tuple or list of float): (min, max) values for color scale\n"
"Returns:\n"
"    (bool): If modification(s) were successful"

Definition at line 353 of file py_molrep.C.

const char num_doc[] [static]
 

Initial value:

"Get number of representations present for molecule\n\n"
"Args:\n"
"    molid (int): Molecule ID to query\n"
"Returns:\n"
"    (int): Number of representation"

Definition at line 34 of file py_molrep.C.

const char rep_moddoc[] [static]
 

Initial value:

"Methods for controlling graphical representations associated with a molecule"

Definition at line 756 of file py_molrep.C.

Referenced by initmolrep.

const char repindex_doc[] [static]
 

Initial value:

"Get the index of a representation from its name\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    name (str): Representation name\n"
"Returns:\n"
"    (int): Representation index, or None if no such representation"

Definition at line 443 of file py_molrep.C.

const char repname_doc[] [static]
 

Initial value:

"Get the name of a representation\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"Returns:\n"
"    (str): Representation name"

Definition at line 408 of file py_molrep.C.

const char reset_doc[] [static]
 

Initial value:

"Automatically set the color scale minimum and maximum values to span the\n"
"input data\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to modify"

Definition at line 320 of file py_molrep.C.

const char select_doc[] [static]
 

Initial value:

"Get the atom selection associated with a representation\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"Returns:\n"
"    (str): Atom selection"

Definition at line 173 of file py_molrep.C.

const char set_autoupdate_doc[] [static]
 

Initial value:

"Set if the representation should automatically update its atom selection\n"
"when the frame is changed. Useful for selections like 'within'\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"    autoupdate (bool): Whether or not autoupdate is on"

Definition at line 509 of file py_molrep.C.

const char set_cupdate_doc[] [static]
 

Initial value:

"Sets if the representation's color should automatically update when the\n"
"frame is changed. Useful for distance based coloring, etc.\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"    autoupdate (bool): If color should automatically update"

Definition at line 575 of file py_molrep.C.

const char set_scale_doc[] [static]
 

Initial value:

"Set the minimum and maximum color scale values for a representation\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to modify\n"
"    scale_min (float): Minimum scale value\n"
"    scale_max (float): Maximum scale value"

Definition at line 285 of file py_molrep.C.

const char set_smooth_doc[] [static]
 

Initial value:

"Sets the number of frames over which a representation is smoothed\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"    smoothing (int): Smoothing window"

Definition at line 637 of file py_molrep.C.

const char set_visible_doc[] [static]
 

Initial value:

"Set if a representation is visible\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"    visible (bool): If representation should be displayed"

Definition at line 701 of file py_molrep.C.

const char style_doc[] [static]
 

Initial value:

"Get the style associated with a representation\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"Returns:\n"
"    (str): Representation style, like 'NewCartoon'"

Definition at line 147 of file py_molrep.C.

const char visible_doc[] [static]
 

Initial value:

"Query if a representation is visible\n\n"
"Args:\n"
"    molid (int): Molecule ID with representation\n"
"    rep (int): Representation index to query\n"
"Returns:\n"
"    (bool): If representation is visible"

Definition at line 671 of file py_molrep.C.

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