pearl-pmsco-import.ipf File Reference

data import/export procedures for multiple scattering calculations. More...

Go to the source code of this file.

Namespaces
	PearlPmscoImport
	data import/export procedures for multiple scattering calculations.

Functions
string	pmsco_save_scan (string pathname, string filename, string energy, string theta, string phi, string alpha, string intensity, string sigma, dfref sdfr=defaultValue)
	save waves in a PMSCO scan data file. More...
static string	save_scan_helper (string destname, string value, wave template, dfref destdfr, string wavenames)
	helper function for save_pmsco_scan() More...
string	pmsco_load_xyz (string pathname, string filename)
	load an xyz cluster file More...

Detailed Description

data import/export procedures for multiple scattering calculations.

Author

matthias muntwiler, matth.nosp@m.ias..nosp@m.muntw.nosp@m.iler.nosp@m.@psi..nosp@m.ch

Copyright

2018 Paul Scherrer Institut
Licensed under the Apache License, Version 2.0 (the "License");
you may not use this file except in compliance with the License.
You may obtain a copy of the License at http://www.apache.org/licenses/LICENSE-2.0

Definition in file pearl-pmsco-import.ipf.

Function Documentation

pmsco_load_xyz()

string pmsco_load_xyz	(	string	pathname,
		string	filename
	)

load an xyz cluster file

load an xyz cluster file into the current data folder the wave names are at (atom types), xx, yy, and zz. at is a text wave containing chemical symbols. existing waves are overwritten.

Parameters

pathname	name of igor symbolic path. can be empty (path is taken from filename argument).
filename	file system path. can be empty (will open dialog).

Definition at line 188 of file pearl-pmsco-import.ipf.

pmsco_save_scan()

string pmsco_save_scan	(	string	pathname,
		string	filename,
		string	energy,
		string	theta,
		string	phi,
		string	alpha,
		string	intensity,
		string	sigma,
		dfref	sdfr = defaultValue
	)

save waves in a PMSCO scan data file.

Warning

experimental. this function is work in progress.

cases

• phd scan: separate energy, theta, phi, alpha, intensity waves
• hemi scan: separate energy, theta, phi, intensity waves
• polar/azi scan: intensity wave, angle is in x scale

options

• sigma wave

the data arguments are strings and can be

• the name of an existing wave (optionally including a path relative to the specified source folder),
• the string representation of a constant numeric value,
• a dimension specifier ("x", "y", "z" or "t") referring to the dimension scale of the intensity wave, or
• an empty string if the corresponding axis should not be saved.

wave names can include a path relative to the specified source data folder. by default, the function looks in the folder specified by the sdfr argument.

Parameters

pathname	name of igor symbolic path to destination folder. prompt user if empty.
filename	requested file name. prompt user if empty.

Note

the extension should include the symbols of the included parameters in the order "etpais". if the intensity wave contains a modulation function, ".modf" should be inserted before the extension. in interactive mode, igor tends to override the file extension with a standard one like ".txt".

Parameters

energy	energy specification. see description above.
theta	theta specification. see description above.
phi	phi specification. see description above.
alpha	alpha specification. see description above.
intensity	name of intensity (or modulation) wave. this parameter is mandatory and must refer to an existing wave.
sigma	sigma specification. see description above.
sdfr	source data folder reference. default: current data folder.

Returns

file name

Definition at line 88 of file pearl-pmsco-import.ipf.

save_scan_helper()

static string save_scan_helper ( string  destname, string  value, wave  template, dfref  destdfr, string  wavenames  )

static

helper function for save_pmsco_scan()

Definition at line 126 of file pearl-pmsco-import.ipf.