Clash Royale CLAN TAG#URR8PPP

Bareword not allowed while “strict subs” in use

I'm a researcher of high-barrier rubber materials. I meet some problems with the Perl by using the Materials Studo software. I can not understand what the Perl errors mean.

Here is the Perl script and its error

#!perl

use strict;

use Getopt::Long;
use MaterialsScript qw(:all);

for ( my $RxnRadius = my $MinRxnRadius; $RxnRadius <= my $MaxRxnRadius; $RxnRadius += 0.5 )

my $xsdNameDist = sprintf( "%s_R%.2f", my $rootName, $RxnRadius ); #rename the new structure;

if ( $RxnRadius > $MinRxnRadius )

my $doc->Name = $xsdNameDist . "_init";
ForciteGeomOpt( $doc, 20000 ); # run 20000 steps of Geometry Optimization

my $results = ForciteDynamics( $doc, my $steps, "NPT" );
$results->Trajectory->Delete;


for ( my $iteration = 1; $iteration <= my $IterationsPerRadius; $iteration++ )

my $doc->Name = $xsdNameDist . "_" . $iteration;
my $numBonds = createNewXlinks( $doc, $RxnRadius );
my $reactedOligomerAtoms = 0;

foreach my $atom ( @ $doc->UnitCell->Atoms )
my $oligomerReactiveAtom;
$reactedOligomerAtoms++ if ( $atom->Name =~ /^$oligomerReactiveAtom-d/ );


my $conversion = 100 * my $totalOligomerAtoms;

( $reactedOligomerAtoms / $totalOligomerAtoms );

if ( $numBonds == 0 )
last;


optimizeAndPerturb( $doc );

my $rowCounter;
xlinkStatistics( $doc, $RxnRadius, $rowCounter );
maxBondEnergy( $doc, $RxnRadius, $rowCounter ) if ( my $UseMaxBondEnergy );

my $analysis_doc = Documents->New( "analyze.xsd" );
$analysis_doc->CopyFrom( $doc );

my $analyzeDuration;
my $timeStep;

my $steps = ( $analyzeDuration * PICO_TO_FEMTO / $timeStep );
my $freq = int( $steps / 20 ); ### line 56
my $results = Forcite Dynamics(
$analysis_doc, $steps,
"NPT",
( TrajectoryFrequency => $freq )
);

getTrajTempAndPressure( $results, $rowCounter, $RxnRadius );
getEnergies( $results, $rowCounter );
$analysis_doc->Delete;
$results->Trajectory->Delete;

if ( $conversion >= my $conversionTarget )

my $numbondsDelete = my $xlinkCounter - $reactedOligomerAtoms - my $targetOligomerAtoms;

if ( my $deleteExcessXlinks and $numbondsDelete > 0 )
deleteExcessBonds( $doc, $numbondsDelete );
xlink Statistics( $doc, "Final", $rowCounter );

else
my $textDoc->Append(
sprintf "There are no excess bonds to deleten "
);


my $textDoc->Save;

last;


Documents->SaveAll;


last if ( my $conversion >= my $conversionTarget );


my $doc->Name = my $rootName . "_final";
analyzeBonds( $doc );
XlinkSet( $doc );
Glasstransitiontemperature( $doc );
Documents->SaveAll;


Gives

Bareword "PICO_TO_FEMTO" not allowed while "strict subs" in use at -e line 56.

-e had compilation errors.

I don't how to understand the notice or how to solve the problem.

$

@

%

my $steps = ($analyzeDuration * PICO_TO_FEMTO / $timeStep); ***-----line 56***

PICO_TO_FEMTO

$

MaterialsScript

use constant PICO_TO_FEMTO => 1.0E6;

1.0E-6

my $fm = PICO_TO_FEMTO * $pm;

$pm

$fm

use constant PICO_TO_FEMTO => 1E-03;

use

MaterialsScript.pm

qw(:all)

$

@

%

1 Answer
1

Probably some form of PICO_TO_FEMTO is imported from the MaterialsScript library you use at the beginning, as it's not defined in your script.

PICO_TO_FEMTO

MaterialsScript

use

Have a look at the lib. My assumption is, its name is actually $PICO_TO_FEMTO, a simple scalar variable with a $ sigil.

$PICO_TO_FEMTO

$

A bareword in Perl is an identifier without a sigil. If it's a function, it's OK. But this is probably a variable.

If you want to define a bareword variable, you do it like this:

use constant PICO_TO_FEMTO => 1000;


This creates a function called PICO_TO_FEMTO always returning 1000 under the hood.

By clicking "Post Your Answer", you acknowledge that you have read our updated terms of service, privacy policy and cookie policy, and that your continued use of the website is subject to these policies.