I've just been playing with the lazy creation patch:
cdk> ant -Ddo.lazy.creation=yes -f jmol.xml
(which actually is the default now...)
For those who don't remember, the lazy creation patch was designed to
make the ChemObject class (on which CDK's and Jmol's Atom class are based)
use less memory, by allocating arrays when needing, and not be default when
the class is instantiated...
Then did some performance testing, and the results are not promising...
(don't understand why). I've been using Jmol-b6 with hemoglobin.pdb.
There seems to be some memory leakage, therefor the chain saw memory
usage between two limits.
memory usage frame rendering speed
Jmol 16-18 MB about 128 ms
Jmol with patch 17-19 MB about 128 ms
So the good news is that rendering speed does not suffer...
But, why does the memory usage go up ??
I'll do some more testing, but please send in additional reports on the
effectiveness of the patch... It can be applied to CDK's build.xml like:
ant -Ddo.lazy.creation=yes clean test
PS, you can try this too:
ant -Ddo.lazy.creation=yes info
PhD on Molecular Representation in Chemometrics