PEARL Procedures
rev-distro-3.0.0-0-gfa24916-dirty
Igor procedures for the analysis of PEARL data
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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 | load_pmsco_scan (string pathname, string filename, variable is_modulation=defaultValue, variable quiet=defaultValue) |
load a PMSCO scan file into the current data folder. More... | |
string | load_pmsco_result (string pathname, string filename, variable quiet=defaultValue) |
load a PMSCO result file into the current data folder. More... | |
string | pmsco_load_xyz (string pathname, string filename) |
load an xyz cluster file More... | |
data import/export procedures for multiple scattering calculations.
Definition in file pearl-pmsco-import.ipf.
string load_pmsco_result | ( | string | pathname, |
string | filename, | ||
variable | quiet = defaultValue |
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load a PMSCO result file into the current data folder.
result files have the extension dat or tasks.dat. this will overwrite existing waves. the function loads all columns.
pathname | name of a symbolic path |
filename | file name |
quiet | (optional)
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Definition at line 286 of file pearl-pmsco-import.ipf.
string load_pmsco_scan | ( | string | pathname, |
string | filename, | ||
variable | is_modulation = defaultValue , |
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variable | quiet = defaultValue |
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) |
load a PMSCO scan file into the current data folder.
the function loads all columns from the file. the waves are named with two-letter names according to the file extension. existing waves are overwritten.
the file extension must be etpais
or a subset of it, e.g., etpi
. the wave names will be en
(energy), th
(theta), ph
(phi), al
(alpha), in
(intensity) or mo
(modulation), and si
(sigma).
pathname | name of igor symbolic path to destination folder. prompt user if empty. |
filename | requested file name. prompt user if empty. the extension must be a string of characters indicating the data of each column. it must be "etpais" or any substring of it, and the columns must be ordered accordingly. if the name contains .modf , the intensity wave is named as mo rather than in . this behaviour can be overridden by the is_modulation flag. |
is_modulation | select whether the intensity column is named mo rather than in .
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quiet | (optional)
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Definition at line 207 of file pearl-pmsco-import.ipf.
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.
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 320 of file pearl-pmsco-import.ipf.
string pmsco_save_scan | ( | string | pathname, |
string | filename, | ||
string | energy, | ||
string | theta, | ||
string | phi, | ||
string | alpha, | ||
string | intensity, | ||
string | sigma, | ||
dfref | sdfr = defaultValue |
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) |
save waves in a PMSCO scan data file.
cases
options
the data arguments are strings and can be
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.
pathname | name of igor symbolic path to destination folder. prompt user if empty. |
filename | requested file name. prompt user if empty. |
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. |
Definition at line 89 of file pearl-pmsco-import.ipf.
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static |
helper function for save_pmsco_scan()
Definition at line 127 of file pearl-pmsco-import.ipf.