TABLE OF CONTENTS


::pwtk::pwi::getAtmSymbList

SYNOPSIS

proc ::pwtk::pwi::getAtmSymbList {} {

PURPOSE

Get a sequential list of atomic-symbols from ATOMIC_POSITIONS card (in the same order), i.e.:

      AtmSy1
      AtmSy2
      ...

SOURCE

    set save_input [::pwtk::input::get_]

    set result ""
    foreach line [split [::pwtk::input::cardGetContent ATOMIC_POSITIONS] \n] {
        if { [string is space $line] } {
            continue
        } elseif { [string match -nocase *first_image* $line] } { 
            continue
        } elseif { [string match -nocase *intermediate_image* $line] \
                       || [string match -nocase *last_image* $line] } {
            return $result
        } else {
            lappend result [lindex $line 0]
        }
    }

    ::pwtk::input::set_ $save_input
    
    return $result
}