Class: Chem::MSI::MSIReader

Inherits:
Object
  • Object
show all
Defined in:
lib/chem/db/msi.rb

Class Method Summary collapse

Instance Method Summary collapse

Constructor Details

#initialize(input) ⇒ MSIReader

Returns a new instance of MSIReader.



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# File 'lib/chem/db/msi.rb', line 64

def initialize input
  @objects = {}
  @input = input
end

Class Method Details

.open(input) ⇒ Object 



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# File 'lib/chem/db/msi.rb', line 56

def MSIReader.open input
  MSIReader.new(input)
end

Instance Method Details

#model ⇒ Object 



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# File 'lib/chem/db/msi.rb', line 60

def model
  @top
end

#read ⇒ Object 



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# File 'lib/chem/db/msi.rb', line 69

def read
  current = MSIFile.new
  @top = current
  @input.each_line do |l|
    if /\((\d+) (\S+)/ =~ l
      case $2
      when 'Model'
        current.child = Model.new($1)
        current = current.child
      when 'Atom'
        current.child = MSIAtom.new($1)
        current = current.child
      when 'Bond'
        current.child = MSIBond.new($1)
        current = current.child
      end
      @objects[$1.to_i] = current
    elsif /\(A (\S) (\S+) (.+)\)/ =~ (l)
      case $1
      when 'C'
        current.prop[$2] = $3
      when 'I'
        current.prop[$2] = $3.to_i
      when 'O'
        current.prop[$2] = @objects[$3.to_i]
      when 'D'
        current.prop[$2] = $3.scanf("(%f %f %f")
      end
    elsif /\s+\)/ =~ l
      current = current.parent
    end
  end
end