lib/vasputils/potcar/concatenater.rb in vasputils-0.0.11 vs lib/vasputils/potcar/concatenater.rb in vasputils-0.0.12
- old
+ new
@@ -5,33 +5,33 @@
#
#
#
class VaspUtils::Potcar::Concatenater
- class NoPotcarError < Exception; end
+ class NoPotcarError < Exception; end
- # 'potcar_path' indicates a storage directory of POTCARs.
- # 'elem_potcar' indicates a correspondence
- # between element symbol and prior POTCAR as Hash.
- def initialize(potcar_path, elem_potcar)
- @potcar_path = potcar_path
- @elem_potcar = elem_potcar
- end
+ # 'potcar_path' indicates a storage directory of POTCARs.
+ # 'elem_potcar' indicates a correspondence
+ # between element symbol and prior POTCAR as Hash.
+ def initialize(potcar_path, elem_potcar)
+ @potcar_path = potcar_path
+ @elem_potcar = elem_potcar
+ end
- # Concatenate POTCARs.
- # Write to io if defined
- # Return string if io is nil.
- def dump(elements, io = nil)
- result = elements.map { |elem|
- raise NoPotcarError unless @elem_potcar.include? elem
- filename = @potcar_path + "/" + @elem_potcar[elem] + "/POTCAR"
- File.read filename
- }.join("")
+ # Concatenate POTCARs.
+ # Write to io if defined
+ # Return string if io is nil.
+ def dump(elements, io = nil)
+ result = elements.map { |elem|
+ raise NoPotcarError unless @elem_potcar.include? elem
+ filename = @potcar_path + "/" + @elem_potcar[elem] + "/POTCAR"
+ File.read filename
+ }.join("")
- if io # is defined
- io.print result
- else
- return result
+ if io # is defined
+ io.print result
+ else
+ return result
+ end
end
- end
end