|
|
| __init__(self,
format='smi',
label="LIVA:amode=0,bmode=0") |
|
|
|
|
|
|
|
stream(self,
inputstream)
returns an iterator which returns a Graph at each iteration. |
|
|
|
|
| error_callback(self,
str) |
|
|
|
|
|
|
|
| setoptions(self,
options) |
|
|
|
|
|
|
|
| parselabel(self,
inputstring) |
|
|
|
|
| Label(self,
graph,
method=None) |
|
|
|
|
| label_SYBYL(self,
graph,
bmode=0) |
|
|
|
|
| label_EH(self,
graph,
amode=0,
bmode=0) |
|
|
|
|
label_EC(self,
graph,
amode=0,
bmode=0)
Element + the Connectivity |
|
|
|
|
label_EC1(self,
graph,
amode=0,
bmode=0)
Element + the Connectivity, fixed bug with bond typing in
label_EC. |
|
|
|
|
| get_BOND_SYMBOLS(self,
bmode) |
|
|
|
|
| label_LIVA(self,
graph,
amode=0,
bmode=0) |
|
|
|
|
label_XSCORE(self,
graph,
bmode=0)
H Hydrophobic A Acceptor D Donor B Both acceptor and donor P Polar
O Other |
|
|
|
|
|