TABLE OF CONTENTS

::pwtk::path::getNAtoms

SYNOPSIS

proc ::pwtk::path::getNAtoms {pathFile} {

PURPOSE

Get number of atoms from the neb.x path file.

RETURN VALUE

Number of atoms in the pathFile; if the pathFile is corrupt and the number of atoms cannot be determined, 0 is returned.

SOURCE

    ::pwtk::fileMustExist $pathFile "neb.x path file"    

    set ims [lsearch -all  [split [::pwtk::readFile $pathFile] \n]  Image:*]
    if { [llength $ims] == 0 } { return 0 }
    set i1  [expr [lindex $ims 0] + 2]
    set i2  [expr [lindex $ims 1] - 1]
    
    return [expr $i2 - $i1 + 1]
}