Using version 2.3.1 with the perl bindings I used to have a piece of code
that went something like:
*my* *$obrotorList* = *new* Chemistry::OpenBabel::OBRotorList; *# rotor
list object*
*$obrotorList*->Setup(*$obmol*);
*$obrotorList*->FindRotors(*$obmol*);
*my* *$nRotors* = *$obrotorList*->Size(); *# number of rotors found*
*if* (*$nRotors* > *0* )
{
*my* *$rotor* = *new* Chemistry::OpenBabel::OBRotor; *# create new
rotor object*
*my* *$it*=*$obrotorList*->BeginRotors(); *# an STL iterator*
*$rotor*=*$obrotorList*->BeginRotor(*$it*); *# get first rotor in list*
*my* *$increment*=*0*;
*for* (*my* *$j* = *0* ; *$j* < *$nRotors* ; *$j*++)
{
*my* *$v_i* = *new* Chemistry::OpenBabel::VectorInt; *# vector of
integers for dihedral atoms*
*$v_i* = *$rotor*->GetDihedralAtoms();
*if*(*$v_i*->size() == *4* ) *# make sure that the dihedral has
atoms --- babel returns 0's for methyls*
{
}
}
After updating my release to the master I've found that this code doesn't
work anymore, inparticular the line:
*$v_i*->size()
gives the error:
Can't locate object method "size" via package
"Chemistry::OpenBabel::VectorInt"
I cannot work out why this is happening, the get function still works, i.e.
*$v_i*->get(0) for example.
I did notice that in the OpenBabel.pm file a number of new lines have been
added to class definitions:
like: *size = *Chemistry::OpenBabelc::VectorInt_size;
Could someone help me out here?
Thanks in advance, Geoff.
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