Interpmat.m - Revision history

Kuprov: Update function See also links and function index membership

2026-06-06T18:38:02Z

Update function See also links and function index membership

Kuprov: Rename Arguments section heading to Parameters

2026-06-05T17:49:49Z

Rename Arguments section heading to Parameters

Kuprov: Normalise sequential blank lines

2026-04-25T11:26:13Z

Normalise sequential blank lines

Admin at 16:10, 27 December 2018

2018-12-27T16:10:43Z

Admin at 16:10, 27 December 2018

2018-12-27T16:10:29Z

Admin: Created page with "Returns a matrix that acts on a stretched pseudocontact shift density cube and projects out the values of the PCS at the Cartesian coordinates given. Tricubic interpolation is..."

2015-12-08T15:46:01Z

Created page with "Returns a matrix that acts on a stretched pseudocontact shift density cube and projects out the values of the PCS at the Cartesian coordinates given. Tricubic interpolation is..."

New page

Returns a matrix that acts on a stretched pseudocontact shift density cube
and projects out the values of the PCS at the Cartesian coordinates given.
Tricubic interpolation is used. Syntax:

P=interpmat(cube_dims,ranges,xyz)

Parameters:

cube_dims - PCS cube dimensions, ordered as [X Y Z].

ranges - cartesian axis extents for the pseudocontact shift
cube as [xmin xmax ymin ymax zmin zmax] in Angstroms.

xyz - nuclear coordinates as [x y z] with multiple rows) at
which PCS is to be evaluated, in Angstroms.

Output:

P - matrix projecting out PCS values at the given positi-
ons from the stretched PCS cube.

Note: this function is a part of the PCS inverse problem solver module and
should not normally be called directly by the user.

@@ Line 26: / Line 26: @@
 ==See also==
-[[ppcs.m]], [[lpcs.m]], [[kpcs.m]], [[ipcs.m]], [[ilpcs.m]], [[xyz2pms.m]], [[hfc2pcs.m]], [[hfc2pms.m]], [[g2chi.m]]
+[[ppcs.m]], [[lpcs.m]], [[kpcs.m]], [[ipcs.m]], [[ilpcs.m]], [[xyz2pms.m]], [[hfc2pcs.m]], [[hfc2pms.m]], [[g2chi.m]], [[cgsppm2ang.m]], [[corrfun.m]], [[fdhess.m]], [[fdkup.m]], [[fdlap.m]], [[fdmat.m]], [[fdvec.m]], [[fdweights.m]], [[fpl2phan.m]], [[fpl2rho.m]], [[hydrodynamics.m]], [[oscillator.m]], [[overwound.m]], [[phan2fpl.m]], [[points2mult.m]], [[qform2sph.m]], [[qxspen_kernel.m]], [[spden.m]], [[Hyperfine_shift_module]], [[Kernel_utilities]]
 ''Version 2.3, authors: [[Ilya Kuprov]]''

@@ Line 6: / Line 6: @@
       P=interpmat(cube_dims,ranges,xyz)
-==Arguments==
+==Parameters==
       cube_dims - pseudocontact shift cube grid sizes, a vector of

@@ Line 27: / Line 27: @@
 ==See also==
 [[ppcs.m]], [[lpcs.m]], [[kpcs.m]], [[ipcs.m]], [[ilpcs.m]], [[xyz2pms.m]], [[hfc2pcs.m]], [[hfc2pms.m]], [[g2chi.m]]
 ''Version 2.3, authors: [[Ilya Kuprov]]''

← Older revision		Revision as of 16:10, 27 December 2018
Line 1:		Line 1:
−	{{DISPLAYTITLE:~~function~~.m}} __NOTOC__	+	{{DISPLAYTITLE:interpmat.m}} __NOTOC__
	Returns a matrix that acts on a stretched pseudocontact shift density cube and projects out the values of the PCS at the Cartesian coordinates given. Tricubic interpolation is used.		Returns a matrix that acts on a stretched pseudocontact shift density cube and projects out the values of the PCS at the Cartesian coordinates given. Tricubic interpolation is used.

@@ Line 1: / Line 1: @@
-Returns a matrix that acts on a stretched pseudocontact shift density cube
+{{DISPLAYTITLE:function.m}} __NOTOC__
-and projects out the values of the PCS at the Cartesian coordinates given.
+Returns a matrix that acts on a stretched pseudocontact shift density cube and projects out the values of the PCS at the Cartesian coordinates given. Tricubic interpolation is used.
-                     P=interpmat(cube_dims,ranges,xyz)
+==Syntax==
-Parameters:
+     P=interpmat(cube_dims,ranges,xyz)
-     cube_dims - PCS cube dimensions, ordered as [X Y Z].
+==Arguments==
       ranges    - cartesian axis extents for the pseudocontact shift
                   cube as [xmin xmax ymin ymax zmin zmax] in Angstroms.
-−
       xyz       - nuclear coordinates as [x y z] with multiple rows) at
                   which PCS is to be evaluated, in Angstroms.
-Output:
+==Outputs==
-−
-      P        - matrix projecting out PCS values at the given positi-
+      P         - matrix projecting out PCS values at the specified
-                ons from the stretched PCS cube.
+                 nuclear positions from the stretched PCS cube.
-Note: this function is a part of the PCS inverse problem solver module and
+''Version 2.3, authors: [[Ilya Kuprov]]''