# -*- coding: utf-8 mode: shell-script -*-

Test       : oct-center-geom
TestGroups : short-run; components
Enabled    : Yes

# quadricyclane molecule

Util  : oct-center-geom
Input : 14-center-geom.01-run.inp
match ; Coordinate  1 x ; LINEFIELD(adjusted.xyz, 3, 2) ; -1.106580
match ; Coordinate  1 y ; LINEFIELD(adjusted.xyz, 3, 3) ; 0.752138
match ; Coordinate  1 z ; LINEFIELD(adjusted.xyz, 3, 4) ; -0.748524
match ; Coordinate 15 x ; LINEFIELD(adjusted.xyz, 17, 2) ; 0.529171
match ; Coordinate 15 y ; LINEFIELD(adjusted.xyz, 17, 3) ; 2.154103
match ; Coordinate 15 z ; LINEFIELD(adjusted.xyz, 17, 4) ; -0.014197