Class for a set of automorphisms: transformations maintaining symmetry alignment.
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#include <symmetry.h>
List of all members.
Public Member Functions |
| sch_sym_autos () |
| Constructer.
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| sch_sym_autos (const sch_sym &sym) |
| Constructer.
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bool | is_set () const |
| Check if has been set.
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bool | set_fixed_type (int type, char *errmsg=0) |
| Set fixed transformation type.
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bool | set_rot_principal (double rot_ang, char *errmsg=0) |
| Set rotation about principal axis.
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bool | set_rot_full (double rot_x, double rot_y, double rot_z, char *errmsg=0) |
| Set rotation about origin.
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bool | set_transl_principal (double transl0, char *errmsg=0) |
| Set translation distance along principal direction.
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bool | set_transl_plane (double transl0, double transl1, char *errmsg=0) |
| Set translation distances along directions which span a plane.
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bool | set_transl_space (double transl0, double transl1, double transl2, char *errmsg=0) |
| Set translation distances along directions which span all space.
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const vector< mat3d > & | get_fixed () const |
| Get fixed realignment transformations.
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void | set_fixed (const t_set &fixed) |
| Set fixed realignment transformations.
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int | num_free_rots () const |
| Number of free rotation variables.
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int | num_free_transls () const |
| Number of free translation variables.
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mat3d | get_realignment () const |
| Get realignment transformtion from current settings.
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bool | set_realignment (const char *realign, char *errmsg=0) |
| Set and get realignment transformation from a string of numbers.
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Detailed Description
Class for a set of automorphisms: transformations maintaining symmetry alignment.
Constructor & Destructor Documentation
sch_sym_autos::sch_sym_autos |
( |
const sch_sym & |
sym | ) |
|
Constructer.
- Parameters:
-
sym | symmetry group to transform |
Member Function Documentation
const vector<mat3d>& sch_sym_autos::get_fixed |
( |
| ) |
const [inline] |
Get fixed realignment transformations.
- Returns:
- The fixed realigment transformations.
mat3d sch_sym_autos::get_realignment |
( |
| ) |
const |
Get realignment transformtion from current settings.
- Returns:
- Realignment transformation
int sch_sym_autos::num_free_rots |
( |
| ) |
const |
Number of free rotation variables.
- Returns:
- Number of free rotation variables (0, 1 or 3).
int sch_sym_autos::num_free_transls |
( |
| ) |
const |
Number of free translation variables.
- Returns:
- Number of free translation variables (0 to 3).
void sch_sym_autos::set_fixed |
( |
const t_set & |
fixed | ) |
|
Set fixed realignment transformations.
- Parameters:
-
fixed | the fixed realigment transformations. |
bool sch_sym_autos::set_fixed_type |
( |
int |
type, |
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|
char * |
errmsg = 0 |
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) |
| |
Set fixed transformation type.
- Parameters:
-
type | the index number of the type (0 always the identity) |
errmsg | an array at least MSG_SZ chars long to return any error message. |
- Returns:
- true if the fixed transformation index is valid, otherwise false and the error is detailed in errmsg.
bool sch_sym_autos::set_realignment |
( |
const char * |
realign, |
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char * |
errmsg = 0 |
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) |
| |
Set and get realignment transformation from a string of numbers.
- Parameters:
-
realign | fixed type number and free variable list as colon separated string |
errmsg | an array at least MSG_SZ chars long to return any error message. |
- Returns:
- true if the realignment was valid, otherwise false and the error is detailed in errmsg.
bool sch_sym_autos::set_rot_full |
( |
double |
rot_x, |
|
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double |
rot_y, |
|
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double |
rot_z, |
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char * |
errmsg = 0 |
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) |
| |
Set rotation about origin.
- Parameters:
-
rot_x | rotation about x-axis, in degrees |
rot_y | rotation about y-axis, in degrees |
rot_z | rotation about z-axis, in degrees |
errmsg | an array at least MSG_SZ chars long to return any error message. |
- Returns:
- true if the free variable could be set, otherwise false and the error is detailed in errmsg.
bool sch_sym_autos::set_rot_principal |
( |
double |
rot_ang, |
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char * |
errmsg = 0 |
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) |
| |
Set rotation about principal axis.
- Parameters:
-
rot_ang | rotation angle about prinicipal axis, in degrees |
errmsg | an array at least MSG_SZ chars long to return any error message. |
- Returns:
- true if the free variable could be set, otherwise false and the error is detailed in errmsg.
bool sch_sym_autos::set_transl_plane |
( |
double |
transl0, |
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double |
transl1, |
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char * |
errmsg = 0 |
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) |
| |
Set translation distances along directions which span a plane.
- Parameters:
-
transl0 | first translation distance |
transl1 | second translation distance |
errmsg | an array at least MSG_SZ chars long to return any error message. |
- Returns:
- true if the free variable could be set, otherwise false and the error is detailed in errmsg.
bool sch_sym_autos::set_transl_principal |
( |
double |
transl0, |
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|
char * |
errmsg = 0 |
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) |
| |
Set translation distance along principal direction.
- Parameters:
-
transl0 | translation distance |
errmsg | an array at least MSG_SZ chars long to return any error message. |
- Returns:
- true if the free variable could be set, otherwise false and the error is detailed in errmsg.
bool sch_sym_autos::set_transl_space |
( |
double |
transl0, |
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double |
transl1, |
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double |
transl2, |
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char * |
errmsg = 0 |
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) |
| |
Set translation distances along directions which span all space.
- Parameters:
-
transl0 | first translation distance |
transl1 | second translation distance |
transl2 | third translation distance |
errmsg | an array at least MSG_SZ chars long to return any error message. |
- Returns:
- true if the free variable could be set, otherwise false and the error is detailed in errmsg.
The documentation for this class was generated from the following files: