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Full Discussion: Calculate root mean square?
Top Forums Shell Programming and Scripting Calculate root mean square? Post 302954490 by liuzhencc on Tuesday 8th of September 2015 12:45:30 PM
Old 09-08-2015
Thanks so much for the script. It works like a charm.
Would you please give me some explanation about this script? How does it works so fast. Since you use unformatted print inside awk, so the bond title and bond distance are not aligned with each other if there are hundreds of bond.
for instance, there are 19 bond titles and 24 distances
Code:
P2-Cr1 N3-Cr1 P4-Cr1 C5-Cr1 C6-Cr1 C7-Cr1 C8-Cr1 C9-Cr1 C10-Cr1 C11-Cr1 C12-Cr1 C13-Cr1 C14-Cr1 C15-Cr1 C16-Cr1 C17-Cr1 C18-Cr1 C19-Cr1 C20-Cr1
2.270 2.872 2.249 3.526 3.961 5.272 6.070 5.812 4.655 3.494 3.886 5.197 6.016 5.787 4.646 3.486 3.883 5.197 6.017 5.785 4.641 3.490 4.027 5.305

 

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Excel::Template::Plus(3pm)				User Contributed Perl Documentation				Excel::Template::Plus(3pm)

NAME
Excel::Template::Plus - An extension to the Excel::Template module SYNOPSIS
use Excel::Template::Plus; my $template = Excel::Template::Plus->new( engine => 'TT', template => 'greeting.tmpl', config => { INCLUDE => [ '/templates' ] }, params => { greeting => 'Hello' } ); $template->param(location => 'World'); $template->write_file('greeting.xls'); DISCLAIMER
This is the very first release of this module, it is an idea that I and Rob Kinyon (the author of Excel::Template) had discussed many times, but never got around to doing. This is the first attempt at bring this to reality, it may change radically as it evolves, so be warned. DESCRIPTION
This module is an extension of the Excel::Template module, which allows the user to use various "engines" from which you can create Excel files through Excel::Template. The idea is to use the existing (and very solid) excel file generation code in Excel::Template, but to extend its more templatey bits with more powerful options. The only engine currently provided is the Template Toolkit engine, which replaces Excel::Template's built in template features (the LOOP, and IF constructs) with the full power of TT. This is similar to the module Excel::Template::TT, but expands on that even further to try and create a more extensive system. You can use this module to create Excel::Template-compatible XML files using one of the supported engines. For example, with the TT engine you could create a Excel::Template XML file like: <workbook> <worksheet name="[% worksheet_name %]"> [% my_cols = get_list_of_columns %] <row> [% FOR col = my_cols %] <bold><cell>[% col %]</cell></bold> [% END %] </row> [% FOR my_row = get_list_of_objects %] <row> [% FOR col = my_cols %] <cell>[% my_row.$col %]</cell> [% END %] </row> [% END %] </worksheet> </workbook> Your TT template thus creates a XML file suitable to handing over to Excel::Template for processing. Excel::Template::Plus simplifies the template-creation and handing-over process. Future engine/plans include: Pure Perl This would allow you to write you Excel::Template files using Perl itself which would then output the XML for Excel::Template to consume. This would be modeled after the recently released Template::Declare module perhaps. TT Plugins/Macros/Wrappers This is basically anything which will make the TT engine easier to write templates for. I have experimented with some of these things, but I was not happy with any of them enough to release them yet. HTML::Template Excel::Template's templating features are based on HTML::Template, but the HTML::Template plugins and other goodies are not compatible. This engine would bring those things to Excel::Template. METHODS
new (%options) This method basically serves as a factory for creating new engine instances (for which Excel::Template::Plus::TT is the only one currently). The only parameter that it requires is engine, all other parameters are passed onto the engine's constructor (see the individual docs for more details on what is required). meta Access to the metaclass. BUGS
All complex software has bugs lurking in it, and this module is no exception. If you find a bug please either email me, or add the bug to cpan-RT. ACKNOWLEDGEMENTS
This module came out of several discussions I had with Rob Kinyon. AUTHOR
Stevan Little <stevan@iinteractive.com> COPYRIGHT AND LICENSE
Copyright 2007-2010 by Infinity Interactive, Inc. <http://www.iinteractive.com> This library is free software; you can redistribute it and/or modify it under the same terms as Perl itself. perl v5.14.2 2012-05-06 Excel::Template::Plus(3pm)
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