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atom.type-d3e51069.rst

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atom.type

Implementation level
Type Status
CML extraction template image1
HTML5 representation image2
Template attributes
Attribute Value
source Amber topology atom type section
id atom.type
name Amber topology atom type section
pattern \s*%FLAG AMBER_ATOM_TYPE.*
endPattern .\S\s$%.*
endPattern2 ~
endOffset 1
xml:base sections/atom.type.xml

Input

%FLAG AMBER_ATOM_TYPE                                                           
%FORMAT(20a4)                                                                   
M1  o   os  o   os  o   oh  Y1  Y2  Y3  Y4  c3  c3  ce  cf  c3  cf  c3  c3  cd  
cd  c   c3  cf  cc  c   cc  cc  c   c3  cf  cc  cd  cd  cd  cd  c3  cc  cc  cf  
c3  c3  cf  c3  c3  c2  c3  hc  hc  hc  hc  hc  hc  hc  hc  hc  ha  hc  hc  hc  
ha  hc  hc  hc  ha  h1  h1  h1  hc  hc  ha  hc  hc  hc  hc  hc  hc  ha  ha  h1  
h1  h1  ho  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  
HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  
HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  
OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  
HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  
HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  
OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  
HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  HW  HW  OW  
HW  HW  OW  HW  HW  OW  HW  HW  
%FLAG TREE_CHAIN_CLASSIFICATION

Output text

<comment class="example.output" id="atom.type">
        <module cmlx:templateRef="atom.type">
            <array dataType="xsd:string" delimiter="|" dictRef="am:atomType" size="7628">M1|o|os|o|os|o|oh|Y1|Y2|Y3|Y4|c3|c3|ce|cf|c3|cf|c3|c3|cd|cd|c|c3|cf|cc|c|cc|cc|c|c3|cf|cc|cd|cd|cd|cd|c3|cc|cc|cf|c3|c3|cf|c3|c3|c2|c3|hc|hc|hc|hc|hc|hc|hc|hc|hc|ha|hc|hc|hc|ha|hc|hc|hc|ha|h1|h1|h1|hc|hc|ha|hc|hc|hc|hc|hc|hc|ha|ha|h1|h1|h1|ho|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW|OW|HW|HW</array>
        </module>
   </comment>

Template definition

<record repeat="2" />
<record repeat="*">{1_20A,am:atomType}</record>
<transform process="joinArrays" xpath=".//cml:array" />
<transform process="pullup" xpath=".//cml:array" />
<transform process="delete" xpath=".//cml:list" />