CHEM.datatype.finger

FP_A(*args)

FP_A(Finger f) -> float

* In this module there are a large number of functions. They are partially organized by different * prefixes. * * FP = General purpose functions and functions for operating on standard folded fingerprints. * * FPD = Bit Decoders used to read fingerprints as binary data. This set of functions is used to * by the more complex compression schemes to decode fingerprints encoded by golomb.py. * * And a few definitions of different compressed types of fingerprints. Each of these types has a * special digit (G,S,P, or M) used at times to signal there usage in arguements. For example, * a FPSG???(FINGER *f1, FINGER *f2) would take a Sparse fingerprint for f1 and a Golomb fingerprint * for f2. * * FPG = Golomb Fingerprints encoded as described in golomb.py * FPS = Sparse fingerprints, storing 32-bit integers in system format. * FPP = Modified Elias Gamma MEG-I fingerprints as described in golomb.py. * FPM = Modified Elias Gamma MEG-R fingerprints as described in golomb.py.

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

tanimoto(*args)

tanimoto(Finger b1, Finger b2) -> double

Tanimoto is a basic, symetric measure of similarity that can be called on fingerprinst:

>>> tanimoto(Finger('128.**-'), Finger('128.*'))
0.5

it is symetric, so: >>> f1=Finger(128,.5) >>> f2=Finger(128,.4) >>> tanimoto(f1,f2)==tanimoto(f2,f1) 1

More details can be found at: http://www.daylight.com/dayhtml/doc/theory/theory.finger.html

tversky(*args)

tversky(Finger b1, Finger b2, double alpha, double beta) -> double

Tversky similarity is based on the tanimoto similarity but can be used for fuzzy substructure searching.

Tversky can be called on fingerprints: >>> tversky(Finger('128.**-'), Finger('128.*'), 1, 1) 0.5 >>> tversky(Finger('128.**-'), Finger('128.*'), 0, 1) 1.0 >>> tversky(Finger('128.**-'), Finger('128.*'), 1, 0) 0.5

More details can be found at: http://www.daylight.com/dayhtml/doc/theory/theory.finger.html

tversky_ABC(*args)

tversky_ABC(Finger f1, Finger f2, double alpha=1, double beta=1) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPG_to_FPS(*args)

FPG_to_FPS(Finger in) -> Finger

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPP_to_FPS(*args)

FPP_to_FPS(Finger in) -> Finger

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPM_to_FPS(*args)

FPM_to_FPS(Finger in) -> Finger

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPS_A(*args)

FPS_A(Finger f) -> unsigned int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPS_A_MM(*args)

FPS_A_MM(Finger f) -> unsigned int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPP_A(*args)

FPP_A(Finger f) -> unsigned int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPP_A_MM(*args)

FPP_A_MM(Finger f) -> unsigned int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPM_A(*args)

FPM_A(Finger f) -> unsigned int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPM_A_MM(*args)

FPM_A_MM(Finger f) -> unsigned int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPG_A(*args)

FPG_A(Finger f) -> unsigned int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPG_A_MM(*args)

FPG_A_MM(Finger f) -> unsigned int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPS_C(*args)

FPS_C(Finger f1, Finger f2) -> int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPS_C_MM(*args)

FPS_C_MM(Finger f1, Finger f2) -> int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPP_C(*args)

FPP_C(Finger f1, Finger f2) -> int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPP_C_MM(*args)

FPP_C_MM(Finger f1, Finger f2) -> int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPM_C(*args)

FPM_C(Finger f1, Finger f2) -> int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPM_C_MM(*args)

FPM_C_MM(Finger f1, Finger f2) -> int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPG_C(*args)

FPG_C(Finger f1, Finger f2) -> int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPG_C_MM(*args)

FPG_C_MM(Finger f1, Finger f2) -> int

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPStversky(*args)

FPStversky(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPStversky_MM(*args)

FPStversky_MM(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPSStversky(*args)

FPSStversky(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPSStversky_MM(*args)

FPSStversky_MM(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPPtversky(*args)

FPPtversky(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPPtversky_MM(*args)

FPPtversky_MM(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPSPtversky(*args)

FPSPtversky(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPSPtversky_MM(*args)

FPSPtversky_MM(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPMtversky(*args)

FPMtversky(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPMtversky_MM(*args)

FPMtversky_MM(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPSMtversky(*args)

FPSMtversky(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPSMtversky_MM(*args)

FPSMtversky_MM(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPGtversky(*args)

FPGtversky(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPGtversky_MM(*args)

FPGtversky_MM(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPSGtversky(*args)

FPSGtversky(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

FPSGtversky_MM(*args)

FPSGtversky_MM(Finger f1, Finger f2, double alpha, double beta) -> double

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

parallel_sim(*args)


parallel_sim(Finger q, PyObject fingers, int nproc=2, double alpha=1, 
    double beta=1, int mode=1) -> PyObject

* In this module there are a large number of functions. They are partially organized by different 
* prefixes.
*
* FP = General purpose functions and functions for operating on standard folded fingerprints.
* 
* FPD = Bit Decoders used to read fingerprints as binary data. This set of functions is used to
* by the more complex compression schemes to decode fingerprints encoded by golomb.py.
*
* And a few definitions of different compressed types of fingerprints. Each of these types has a
* special digit (G,S,P, or M) used at times to signal there usage in arguements. For example,
* a FPSG???(FINGER *f1, FINGER *f2) would take a Sparse fingerprint for f1 and a Golomb fingerprint
* for f2.
*
* FPG = Golomb Fingerprints encoded as described in golomb.py
* FPS = Sparse fingerprints, storing 32-bit integers in system format.
* FPP = Modified Elias Gamma MEG-I fingerprints as described in golomb.py.
* FPM = Modified Elias Gamma MEG-R fingerprints as described in golomb.py.

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

parallel_abc(*args)

parallel_abc(Finger q, PyObject fingers, int nprocs, int mode) -> PyObject

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

_parallel_sim_helper(*args)

_parallel_sim_helper(void args) -> void

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

_parallel_abc_helper(*args)

_parallel_abc_helper(void args) -> void

Some of these names may seem cryptic. Many of them are renamed much prettier names in prettyfinger.py.

Module finger

FP_A(*args)

tanimoto(*args)

tversky(*args)

tversky_ABC(*args)

FPG_to_FPS(*args)

FPP_to_FPS(*args)

FPM_to_FPS(*args)

FPS_A(*args)

FPS_A_MM(*args)

FPP_A(*args)

FPP_A_MM(*args)

FPM_A(*args)

FPM_A_MM(*args)

FPG_A(*args)

FPG_A_MM(*args)

FPS_C(*args)

FPS_C_MM(*args)

FPP_C(*args)

FPP_C_MM(*args)

FPM_C(*args)

FPM_C_MM(*args)

FPG_C(*args)

FPG_C_MM(*args)

FPStversky(*args)

FPStversky_MM(*args)

FPSStversky(*args)

FPSStversky_MM(*args)

FPPtversky(*args)

FPPtversky_MM(*args)

FPSPtversky(*args)

FPSPtversky_MM(*args)

FPMtversky(*args)

FPMtversky_MM(*args)

FPSMtversky(*args)

FPSMtversky_MM(*args)

FPGtversky(*args)

FPGtversky_MM(*args)

FPSGtversky(*args)

FPSGtversky_MM(*args)

parallel_sim(*args)

parallel_abc(*args)

_parallel_sim_helper(*args)

_parallel_abc_helper(*args)

_PARALLEL_SIM_ARGS_swigregister

_PARALLEL_ABC_ARGS_swigregister