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atomic.number-d3e51041.rst

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atomic.number

Implementation level
Type Status
CML extraction template image1
HTML5 representation image2
Template attributes
Attribute Value
source Amber topology atomic number section
id atomic.number
name Amber topology atomic number section
pattern \s*%FLAG\sATOMIC_NUMBER.*
endPattern .[0-9]\s$%.*
endPattern2 ~
endOffset 1
xml:base sections/atomic.number.xml

Input

%FLAG ATOMIC_NUMBER                                                             
%FORMAT(10I8)                                                                   
      30       8       8       8       8       8       8       7       7       7
       7       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       6       6       6
       6       6       6       6       6       6       6       1       1       1
       1       1       1       1       1       1       1       1       1       1
       1       1       1       1       1       1       1       1       1       1
       1       1       1       1       1       1       1       1       1       1
       1       1       1       8       1       1       8       1       1       8
       1       1       8       1       1       8       1       1       8       1
       1       8       1       1       8       1       1       8       1       1
       8       1       1       8       1       1       8       1       1       8
       1       8       1       1       8       1       1       8       1       1
       8       1       1       8       1       1       8       1       1       8
       1       1       8       1       1       8       1       1
%FLAG MASS

Output text

<comment class="example.output" id="atomic.number">   
         <module cmlx:templateRef="atomic.number">
            <array dataType="xsd:integer" dictRef="cc:elementType" size="7628">30 8 8 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1 8 1 1</array>
         </module>    
    </comment>

Template definition

<record repeat="2" />
<record repeat="*">{1_10I,cc:elementType}</record>
<transform process="joinArrays" xpath=".//cml:array" />
<transform process="pullup" xpath=".//cml:array" />
<transform process="delete" xpath=".//cml:list" />