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Top Forums Shell Programming and Scripting Remove a block of Text at regular intervals Post 302468334 by marcozd on Tuesday 2nd of November 2010 11:42:56 AM
Old 11-02-2010
Question Remove a block of Text at regular intervals

Hello all,

I have a text files that consists of blocks of text. Each block of text represents a set of Cartesian coordinates for a molecule. Each block of text starts with a line that has a only a number, which is equal to the total number of atoms in the molecule. After this number is a line with "Frame #" where the # symbol is the number of the frame i.e. 1, 2, 3... This is line are the Cartesian coordinates, one set (x, y, z) per line. There are the same number of Cartesian coordinates as the number of atoms in the molecule.

Here is a sample:

Code:
14
Frame 1
Ir 0.4482 -1.2980 -0.2902
P 1.8759 -2.1654 1.4038
P -1.2305 -0.8418 -1.9134
H -2.5605 -0.7775 -1.4067
H -1.3820 -1.8515 -2.9058
H -1.1987 0.3321 -2.7223
H 2.5359 -3.3920 1.1065
H 1.2161 -2.5072 2.6182
H 2.9669 -1.3899 1.8960
C 1.3685 0.2571 -0.5341
O 1.9671 1.2795 -0.7004
Cl -0.8142 -3.4101 0.0318
H -0.8380 -0.5636 2.1141
H -1.0869 -0.4380 2.8141
14
Frame 2
Ir 0.4490 -1.2978 -0.2903
P 1.8738 -2.1613 1.4076
P -1.2367 -0.8359 -1.9047
H -2.5634 -0.7722 -1.3897
H -1.3955 -1.8409 -2.9008
H -1.2083 0.3415 -2.7087
H 2.5186 -3.3989 1.1226
H 1.2155 -2.4815 2.6289
H 2.9753 -1.3923 1.8863
C 1.3731 0.2542 -0.5394
O 1.9771 1.2723 -0.7122
Cl -0.8091 -3.4129 0.0288
H -0.9491 -0.6267 2.0929
H -1.2309 -0.4996 2.7795
.
.
.
14
Frame 72
Ir 0.2799 -1.1423 -0.0744
P 1.5830 -2.0634 1.6851
P -1.4956 -0.6824 -1.5757
H -2.5240 0.2145 -1.1716
H -2.2321 -1.8577 -1.8841
H -1.2106 -0.1808 -2.8791
H 2.8807 -2.5381 1.3446
H 0.9971 -3.2308 2.2364
H 1.8734 -1.3013 2.8541
C 1.7346 -0.5673 -1.1992
O 2.6174 -0.1436 -1.8621
Cl 0.2051 -3.5805 -0.9057
H 0.1695 0.2982 0.6158
H -0.9713 -1.5095 0.9427

I would like to be able to remove every other frame (which corresponds to a block of text that starts with number of atoms in the molecule, followed by the "Frame #" followed by the coordinates.

The trick is that not every file has the same number of atoms, so the script has to have a variable such that the user can tell it how many atoms are in the coordinates section and then it should remove every other block of data.

So I am trying to remove Frames 2, 4, 6, 8 and so on.

Thus the above sample would become:
Code:
14
Frame 1
Ir 0.4482 -1.2980 -0.2902
P 1.8759 -2.1654 1.4038
P -1.2305 -0.8418 -1.9134
H -2.5605 -0.7775 -1.4067
H -1.3820 -1.8515 -2.9058
H -1.1987 0.3321 -2.7223
H 2.5359 -3.3920 1.1065
H 1.2161 -2.5072 2.6182
H 2.9669 -1.3899 1.8960
C 1.3685 0.2571 -0.5341
O 1.9671 1.2795 -0.7004
Cl -0.8142 -3.4101 0.0318
H -0.8380 -0.5636 2.1141
H -1.0869 -0.4380 2.8141
.
.
.
Frame 71
Ir 0.2798 -1.1422 -0.0743
P 1.5833 -2.0636 1.6848
P -1.4955 -0.6824 -1.5761
H -2.5237 0.2149 -1.1727
H -2.2322 -1.8577 -1.8839
H -1.2099 -0.1819 -2.8797
H 2.8810 -2.5379 1.3438
H 0.9977 -3.2312 2.2359
H 1.8739 -1.3017 2.8539
C 1.7345 -0.5673 -1.1991
O 2.6175 -0.1439 -1.8621
Cl 0.2052 -3.5805 -0.9056
H 0.1693 0.2983 0.6159
H -0.9714 -1.5096 0.9427

Also, if possible, I would like also to be able to remove every 3rd frame as well.

i.e. remove frame 3, 6, 9, 12, 15... and so on.
 

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LabFrame(3pm)						User Contributed Perl Documentation					     LabFrame(3pm)

NAME
Tk::LabFrame - labeled frame. SYNOPSIS
use Tk::LabFrame; $f = $parent->LabFrame(?-label=>text, -labelside=>where, ...?); DESCRIPTION
LabFrame is exactly like Frame and additionaly allows to add a label to the frame. WIDGET-OPTIONS LabFrame supports the same options as the Frame widget. Additional options of LabFrame are: -font => font Specifies the label's font -foreground => color Specifies the label's foreground color -label => text The text of the label to be placed with the Frame. -labelside => where Where can be one of left, right, top, bottom or acrosstop. The first four work as might be expected and place the label to the left, right, above or below the frame respectively. The acrosstop creates a grooved frame around the central frame and puts the label near the northwest corner such that it appears to "overwrite" the groove. -labelvariable => scalar_ref Specifies a reference to a variable and used as an alternative to -label. If the value of the variable changes, then the widget will be updated automatically to reflect the change. Used like -textvariable. ADVERTISED SUBWIDGETS
See "Subwidget" in Tk::mega how to use advertised widgets. border Frame used to display the border frame Frame used to create new LabFrame children. label Label used for displaying text EXAMPLE
Run the following test program to see this in action: use strict; use Tk; require Tk::LabFrame; require Tk::LabEntry; my $test = 'Test this'; my $mw = Tk::MainWindow->new; my $f = $mw->LabFrame(-label => "This is a label", -labelside => "acrosstop"); $f->LabEntry(-label => "Testing", -textvariable => $test)->pack; $f->pack; Tk::MainLoop; BUGS
Perhaps LabFrame should be subsumed within the generic pTk labeled widget mechanism. AUTHOR
Rajappa Iyer rsi@earthling.net This code is derived from LabFrame.tcl and LabWidg.tcl in the Tix4.0 distribution by Ioi Lam. The code may be redistributed under the same terms as Perl. perl v5.14.2 2010-05-29 LabFrame(3pm)
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