input.file

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

Amber log

id

input.file

name

Amber input file section

pattern

\s*Here\sis\sthe\sinput\sfile:.*

endPattern

\s*$\s*

endPattern2

\s*\/\s*$\s*

endOffset

1

xml:base

inputfile.xml

Input

 Here is the input file:

Production
 &cntrl
  imin=0,
  ntx=5,
  irest=1,
  nstlim=50000000,
  dt=0.002,
  ntf=2,
  ntc=2,
  temp0=300.0,
  ntpr=100000,
  ntwx=100000,
  cut=10.0,
  ntb=2,
  ntp=1,
  barostat=2,
  ntt=3,
  gamma_ln=2.0,
  ig=-1,
 /

Output text

 1<comment class="example.output" id="input.file">
 2        <module cmlx:templateRef="input.file">
 3           <list cmlx:templateRef="lines">
 4              <scalar dataType="xsd:string" dictRef="cc:inputLine">Production</scalar>
 5              <scalar dataType="xsd:string" dictRef="cc:inputLine">&cntrl</scalar>
 6              <scalar dataType="xsd:string" dictRef="cc:inputLine">imin=0,</scalar>
 7              <scalar dataType="xsd:string" dictRef="cc:inputLine">ntx=5,</scalar>
 8              <scalar dataType="xsd:string" dictRef="cc:inputLine">irest=1,</scalar>
 9              <scalar dataType="xsd:string" dictRef="cc:inputLine">nstlim=50000000,</scalar>
10              <scalar dataType="xsd:string" dictRef="cc:inputLine">dt=0.002,</scalar>
11              <scalar dataType="xsd:string" dictRef="cc:inputLine">ntf=2,</scalar>
12              <scalar dataType="xsd:string" dictRef="cc:inputLine">ntc=2,</scalar>
13              <scalar dataType="xsd:string" dictRef="cc:inputLine">temp0=300.0,</scalar>
14              <scalar dataType="xsd:string" dictRef="cc:inputLine">ntpr=100000,</scalar>
15              <scalar dataType="xsd:string" dictRef="cc:inputLine">ntwx=100000,</scalar>
16              <scalar dataType="xsd:string" dictRef="cc:inputLine">cut=10.0,</scalar>
17              <scalar dataType="xsd:string" dictRef="cc:inputLine">ntb=2,</scalar>
18              <scalar dataType="xsd:string" dictRef="cc:inputLine">ntp=1,</scalar>
19              <scalar dataType="xsd:string" dictRef="cc:inputLine">barostat=2,</scalar>
20              <scalar dataType="xsd:string" dictRef="cc:inputLine">ntt=3,</scalar>
21              <scalar dataType="xsd:string" dictRef="cc:inputLine">gamma_ln=2.0,</scalar>
22              <scalar dataType="xsd:string" dictRef="cc:inputLine">ig=-1,</scalar>
23              <scalar dataType="xsd:string" dictRef="cc:inputLine">/</scalar>
24           </list>
25        </module>
26    </comment>

Template definition

1<record repeat="2" />
2<record id="lines" repeat="*">{X,cc:inputLine}</record>
3<transform process="delete" xpath=".//cml:list[count(*) = 0]" />
4<transform process="delete" xpath=".//cml:list[count(*) = 0]" />