Public Attributes |
| int | C |
| | complexity
|
| int | nopsA |
| intset * | opsA |
| | Out of plane stretch (axial atoms), single atom info.
|
| int | nopss |
| intset * | opss |
| | Out of plane stretch (axial atoms) -- symmetric.
|
| int | nopsa |
| intset * | opsa |
| | Out of plane stretch (axial atoms) -- asymmetric.
|
| double | opsSe |
| double | opsPe |
| double | opsDe |
| | these are "extents" for each of the above motions
|
| int | nopdA |
| intset * | opdA |
| | Out of plane distortion (ring atoms), single atom info.
|
| int | nopdA1G |
| intset * | opdA1G |
| | Out of plane distortion (ring atoms) -- A-1-G symmetry.
|
| int | nopdOth |
| intset * | opdOth |
| | Out of plane distortion (ring atoms) -- some other symmetry.
|
| double | opdse |
| double | opdae |
| | these are "extents" for each of the above motions
|
| int | nrbA |
| intset * | rbA |
| | ring breathing motion, single atom info
|
| int | nrbs |
| intset * | rbs |
| | ring breathing motion, symmetric
|
| int | nrba |
| intset * | rba |
| | ring breathing motion, asymmetric
|
| int | nroA |
| intset * | roA |
| | ring-related O motion (not stretch), single atom info
|
| int | nros |
| intset * | ros |
| | ring-related O motion, symmetric
|
| int | nroa |
| intset * | roa |
| | ring-related O motion, asymmetric
|
| double | rbAe |
| double | rbse |
| double | rbae |
| double | roAe |
| double | rose |
| double | roae |
| | these are "extents" for each of the above motions
|
| int | nrpA |
| intset * | rpA |
| | ring-related P motion, (not breathing) single atom info
|
| int | nrps |
| intset * | rps |
| | ring-related P motion, symmetric
|
| int | nrpa |
| intset * | rpa |
| | ring-related P motion, asymmetric
|
| int | nrso |
| intset * | rso |
| | other ring-related stretches
|
| double | rpAe |
| double | rpse |
| double | rpae |
| double | rsoe |
| | these are "extents" for each of the above motions
|
Definition at line 139 of file modes.h.
1.7.6.1 
