Daylight Toolkit Bindings

[ Module : dayswig_perl, Package : dayswig_perl ]

Contents


1. dt_mdep.h

$NULL_OB = 0

[ Constant: int ]
no description

$DM_MAX_USERID = 100

[ Constant: int ]
max length of userid string

$DM_MAX_PASSWORD = 100

[ Constant: int ]
max length of password string

$DM_MAX_PATHLEN = 400

[ Constant: int ]
max length of a file's path

$DM_MAX_HOSTNAME = 400

[ Constant: int ]
max length of host + domain address

$DM_MAX_SERVICE = 100

[ Constant: int ]
max length of IPC service name

$DM_MAX_TAG = 40

[ Constant: int ]
max length of THOR datatype tag

$DX_TOOLKIT_LICENSE = 1

[ Constant: int ]
no description

$DX_PROGRAM_LICENSE = 2

[ Constant: int ]
no description

$DX_SERVER_LICENSE = 3

[ Constant: int ]
no description

$DX_DATABASE_LICENSE = 4

[ Constant: int ]
no description

2. dt_datatype.h

$DT_DATATYPE_INCLUDED = 1

[ Constant: int ]
no description

$DX_THOR_USMILES = 0x0001

[ Constant: int ]
unique SMILES

$DX_THOR_ASMILES = 0x0002

[ Constant: int ]
absolute SMILES

$DX_THOR_GRAPH = 0x0004

[ Constant: int ]
convert SMILES to GRAPH

$DX_THOR_MAKEGRAPH = 0x0008

[ Constant: int ]
produce a GRAPH subtree

$DX_THOR_WHITE0 = 0x0010

[ Constant: int ]
zap spaces

$DX_THOR_WHITE1 = 0x0020

[ Constant: int ]
zap 2 or more spaces

$DX_THOR_WHITE2 = 0x0040

[ Constant: int ]
zap 3 or more spaces

$DX_THOR_UPCASE = 0x0080

[ Constant: int ]
convert to upcase

$DX_THOR_DOWNCASE = 0x0100

[ Constant: int ]
convert to downcase

$DX_THOR_NOPUNCT = 0x0200

[ Constant: int ]
zap punctuation

$DX_THOR_SOMEPUNCT = 0x0400

[ Constant: int ]
zap some punctuation

$DX_THOR_CASNUM = 0x0800

[ Constant: int ]
insert hyphens and checksum

$DX_THOR_D3D = 0x1000

[ Constant: int ]
compute 3D hash (WO)

$DX_THOR_REGEXP = 0x2000

[ Constant: int ]
must match regexp (WO)

$DX_THOR_SMILES_NTUPLE = 0x4000

[ Constant: int ]
SMILES-order n-tuple data (WO)

$DX_THOR_BINARY = 0x08000

[ Constant: int ]
binary data

$DX_THOR_READONLY = 0x10000

[ Constant: int ]
field can't be set by user (WO)

$DX_THOR_NUMERIC = 0x20000

[ Constant: int ]
field is numeric

$DX_THOR_INDIRECT = 0x40000

[ Constant: int ]
indirect data field

$DX_THOR_USMILESANY = 0x80000

[ Constant: int ]
unique SMILES, no match to root

$DX_THOR_ASMILESANY = 0x100000

[ Constant: int ]
abs. SMILES, no match to root

$DX_THOR_AUTOGEN = 0x200000

[ Constant: int ]
automatically generate dataitem

$DX_THOR_CHUCKLES = 0x400000

[ Constant: int ]
unique CHUCKLES

$DX_THOR_CHORTLES = 0x800000

[ Constant: int ]
unique CHORTLES

$DX_THOR_NCHUCKLES = 0x1000000

[ Constant: int ]
non-unique CHUCKLES

$DX_THOR_NCHORTLES = 0x2000000

[ Constant: int ]
non-unique CHORTLES

$DX_THOR_PART_NTUPLE = 0x4000000

[ Constant: int ]
SMILES-order part n-tuple data(WO)

$DX_THOR_MAKERXNMOL = 0x8000000

[ Constant: int ]
generate reaction molecules

$DX_THOR_UNUSED = 0x10000000

[ Constant: int ]
remember: 32 bits total

$DX_THOR_WO_NORMS = ((0x1000)|(0x2000)|(0x4000)|(0x4000000))

[ Constant: int ]
no description

$DX_THOR_LOOKUP_NORMS = ((0x0001)|(0x0002)|(0x0004)|(0x80000)|(0x100000)|(0x0010)|(0x0020)|(0x0040)|(0x0080)|(0x0100)|(0x0200)|(0x0400)|(0x0800)|(0x400000)|(0x800000)|(0x1000000)|(0x2000000))

[ Constant: int ]
no description

$DX_THOR_ANYSMILES = ((0x0001)|(0x0002)|(0x80000)|(0x100000))

[ Constant: int ]
no description

dt_comments(h);

[ returns dt_String ]

dt_membership(h);

[ returns dt_String ]

dt_owner(h);

[ returns dt_String ]

3. dt_smiles.h

$DT_SMILES_INCLUDED = 1

[ Constant: int ]
no description

dt_abort(ob);

[ returns dt_Boolean ]
abort a server background task

dt_add(ob,elt);

[ returns dt_Handle ]
add an object to a set object

dt_addatom(ob,atno,hct);

[ returns dt_Handle ]
add an atom to a molecule

dt_addbond(a0,a1,btyp);

[ returns dt_Handle ]
add a bond between two atoms to a molecule

dt_addcomponent(rxn,mol,role);

[ returns dt_Handle ]
add a component object to a reaction object

dt_adjunct(ob);

[ returns dt_Handle ]
retrieve the adjunct object of an object

dt_alloc_integer();

[ returns dt_Handle ]
allocate a new integer object

dt_alloc_mol();

[ returns dt_Handle ]
allocate a new molecule object

dt_alloc_path(mh);

[ returns dt_Handle ]
allocate a new path object

dt_alloc_reaction();

[ returns dt_Handle ]
allocate a new reaction object

dt_alloc_real();

[ returns dt_Handle ]
allocate a new real object

dt_alloc_seq();

[ returns dt_Handle ]
allocate a new sequence object

dt_alloc_string(s);

[ returns dt_Handle ]

dt_alloc_substruct(mh);

[ returns dt_Handle ]
allocate a new substructure object

dt_append(ob,elt);

[ returns dt_Handle ]
append an object to the end of a compound object

dt_arborder(ob);

[ returns dt_Integer ]
retrieve the arbitrary order value for an atom

dt_arbsmiles(h,b);

[ returns dt_String ]

dt_arbstream(mh,type,iso,addh);

[ returns dt_Handle ]
retrieve a stream of objects in an arbitrary order

dt_aromatic(ob);

[ returns dt_Boolean ]
test whether an object is aromatic

dt_ascii2binary(s);

[ returns dt_Handle ]

dt_atend(ob);

[ returns dt_Boolean ]
test if a compound object iteration is at its end

dt_atstart(ob);

[ returns dt_Boolean ]
test if a compound object iteration is at its start

dt_base(ob);

[ returns dt_Handle ]
retrieve the base object of an object

dt_binary2ascii(s);

[ returns dt_Handle ]

dt_binary2asciilen(s);

[ returns dt_Integer ]

dt_bond(a0,a1);

[ returns dt_Handle ]
retrieve the bond connecting two atoms

dt_bondorder(ob);

[ returns dt_Integer ]
retrieve the bond order of a bond

dt_bondtype(ob);

[ returns dt_Integer ]
retrieve the type of a bond

dt_boolean(h,s);

[ returns dt_Boolean ]

dt_briefname(h);

[ returns dt_String ]

dt_canstream(mh,type,iso,addh);

[ returns dt_Handle ]
retrieve a stream of objects in canonical order

dt_cansmiles(h,b);

[ returns dt_String ]

dt_charge(ob);

[ returns dt_Integer ]
retrieve the formal charge of an atom

dt_check_license(i,s);

[ returns dt_Integer ]

dt_chiclass(chival);

[ returns dt_Integer ]
retrieve the chiral class

dt_chiorder(chival);

[ returns dt_Integer ]
retrieve the chiral order

dt_chiperm(bseqh,bh,chival);

[ returns dt_Handle ]
permute a bond to first in a sequence of bonds preserving chirality

dt_chiseq(a,v);

[ returns dt_Handle ]
retrieve a stream of bonds having specified chirality

dt_chival(a,s);

[ returns dt_Integer ]
compute the chiral value around an atom

dt_continue(s);

[ returns dt_Integer ]
continue a task in progress

dt_copy(ob);

[ returns dt_Handle ]
make a copy of an object

dt_count(ob,typ);

[ returns dt_Integer ]
return the number of objects of a type in a compound object

dt_database(ob);

[ returns dt_Handle ]
find the database of an object

dt_datatype(ob);

[ returns dt_Handle ]
find the datatype of an object

dt_dbo(ob,b0,b1);

[ returns dt_Integer ]
dt_dbo

dt_define(h,s,s2);

[ returns dt_Boolean ]

dt_dealloc(ob);

[ returns dt_Boolean ]
remove an object from the system

dt_delete(ob);

[ returns dt_Boolean ]
delete an object from a compound object

dt_description(h);

[ returns dt_String ]

dt_dfnorm(ob,norm);

[ returns dt_Boolean ]
tests if an object was normalized in a particular way

dt_dfnormdata(h,i2);

[ returns dt_String ]

dt_done_when(ob);

[ returns dt_Integer ]
estimate completion time for a task

dt_errorclear();

[ returns void ]
discard pending error messages

dt_errorworst();

[ returns dt_Integer ]
retrieve the level of the worst error recorded

dt_errors(lev);

[ returns dt_Handle ]
retrieve errors of severity or greater

dt_errorsave(func,lev,msg);

[ returns dt_Boolean ]
store an error in the error queue

dt_evict(h,s,s2,h2,b);

[ returns dt_Integer ]

dt_exists(h,s);

[ returns dt_Boolean ]

dt_fieldtype(ob);

[ returns dt_Handle ]
retrieve the fieldtype associated with an object

dt_getdatabases(server);

[ returns dt_Handle ]
get the current list of databases in a server's search path

dt_getdatatype(h,s);

[ returns dt_Handle ]

dt_getmap(atom);

[ returns dt_Handle ]
find all the atoms in a map class

dt_getpasswords(server);

[ returns dt_Handle ]
get the passwords for a server

dt_getrole(ob1,ob2);

[ returns dt_Integer ]
get the role an object plays in a reaction

dt_getsearchpath(server);

[ returns dt_Handle ]
get the current database search path

dt_getusers(server);

[ returns dt_Handle ]
get the current list of users of an object

dt_handle(h,s);

[ returns dt_Handle ]

dt_hcount(ob);

[ returns dt_Integer ]
retrieve the hydrogen count for an atom

dt_hold(h,s);

[ returns dt_Boolean ]

dt_imp_hcount(ob);

[ returns dt_Integer ]
retrieve the implicit hydrogen count of an atom

dt_info(h,s2);

[ returns dt_String ]

dt_insert(ob,elt);

[ returns dt_Handle ]
insert an object into a sequence

dt_integer(h,s);

[ returns dt_Integer ]

dt_integervalue(ob);

[ returns dt_Integer ]
retrieve the integer value of an object

dt_invalid(ob);

[ returns dt_Boolean ]
test if an object handle is invalid

dt_isheld(ob);

[ returns dt_Boolean ]
test if an object is marked as held

dt_isopen(h,s);

[ returns dt_Boolean ]

dt_ispublic(h,s);

[ returns dt_Boolean ]

dt_isohydro();

[ returns dt_Handle ]
retrieve the isomeric hydrogen atom

dt_mapped(a1,a2);

[ returns dt_Boolean ]
test if two atoms are in the same map class

dt_match(ob,mol,exists);

[ returns dt_Handle ]
match a pattern against a target

dt_member(ob,elt);

[ returns dt_Boolean ]
test if an object is a member of a compound object

dt_mod_is_on(ob);

[ returns dt_Boolean ]
determine whether an object may be modified

dt_mod_off(ob);

[ returns dt_Boolean ]
specify that an object may not be modified

dt_mod_on(ob);

[ returns dt_Boolean ]
specify than an object may be modified

dt_molecule(ob);

[ returns dt_Handle ]
return the molecule of an object

dt_monomertable(ob);

[ returns dt_Handle ]
retrieve the monomertable of an object

dt_name(h);

[ returns dt_String ]

dt_next(ob);

[ returns dt_Handle ]
retrieve the next object in a compound object

dt_number(ob);

[ returns dt_Integer ]
retrieve the atomic number of an atom object

dt_open(h,s,s2,s3);

[ returns dt_Handle ]

dt_origstream(mh,type);

[ returns dt_Handle ]
retrieve a stream of objects ordered as they were created

dt_parent(ob);

[ returns dt_Handle ]
retrieve the parent object of an object

dt_ping(h,s);

[ returns dt_Integer ]

dt_propnames(ob);

[ returns dt_Handle ]
retrieve the names of an object's properties

dt_proptype(h,s);

[ returns dt_Integer ]

dt_real(h,s);

[ returns dt_Real ]

dt_realvalue(ob);

[ returns dt_Real ]
retrieve the real value of an object

dt_release(h,s);

[ returns dt_Boolean ]

dt_remove(ob,elt);

[ returns dt_Boolean ]
remove an object from a compound object

dt_reset(ob);

[ returns dt_Boolean ]
reset the iteration state of a compound object

dt_seqsort(ob);

[ returns dt_Boolean ]
sort objects in a sequence by string values

dt_server(ob);

[ returns dt_Handle ]
find the server which owns an object

dt_set_server_timeout(new_time);

[ returns dt_Integer ]
specify the connection time out

dt_setadjunct(ob,adj);

[ returns dt_Handle ]
specify the adjunct value of an object

dt_setarborder(ob,val);

[ returns dt_Boolean ]
specify the arbitrary order of an atom in an object

dt_setaromatic(ob,val);

[ returns dt_Boolean ]
specify the aromaticity of an atom object

dt_setboolean(h,s,b);

[ returns dt_Boolean ]

dt_setbondorder(ob,val);

[ returns dt_Boolean ]
specify the bond order of a bond object

dt_setbondtype(ob,val);

[ returns dt_Boolean ]
specify the type of a bond object

dt_setcharge(ob,val);

[ returns dt_Boolean ]
specify the charge of an atom object

dt_setchival(a,s,v);

[ returns dt_Boolean ]
specify the chiral value of an atom object

dt_setdbo(ob,b0,b1,v);

[ returns dt_Boolean ]
specify the double bond orientation for three bonds

dt_sethandle(h,s,h2);

[ returns dt_Boolean ]

dt_setimp_hcount(ob,val);

[ returns dt_Boolean ]
specify the implicit hydrogen count for an atom object

dt_setinteger(h,s,i);

[ returns dt_Boolean ]

dt_setintegervalue(ob,value);

[ returns dt_Boolean ]
specify the integer value for an object

dt_setmap(a1,a2);

[ returns dt_Boolean ]
merge the reaction map classes of two atoms

dt_setmessage(h,s,i,h2);

[ returns dt_Boolean ]

dt_setnumber(ob,val);

[ returns dt_Boolean ]
specify the atomic number of an atom object

dt_setpassword(ob,what,oldpw,newpw);

[ returns dt_Boolean ]
specify entries in a password file

dt_setreal(h,s,r);

[ returns dt_Boolean ]

dt_setrealvalue(ob,value);

[ returns dt_Boolean ]
specify the real value of an object

dt_setsearchpath(h,s,s2,i);

[ returns dt_Boolean ]

dt_setstring_invalid(h,s);

[ returns dt_Boolean ]

dt_setstring(h,s,s2);

[ returns dt_Boolean ]

dt_setstringvalue(h,s);

[ returns dt_Boolean ]

dt_setweight(ob,val);

[ returns dt_Boolean ]
specify the atomic weight of an atom

dt_smiles(h);

[ returns dt_String ]

dt_smilin(s);

[ returns dt_Handle ]

dt_smilinerrors();

[ returns dt_Handle ]
return all errors related to smiles parsing

dt_stream(ob,typ);

[ returns dt_Handle ]
allocate a stream object

dt_string(h,s2);

[ returns dt_String ]

dt_stringvalue(h);

[ returns dt_String ]

dt_summary(h);

[ returns dt_String ]

dt_symbol(h);

[ returns dt_String ]

dt_symclass(ob,i);

[ returns dt_Integer ]
find the symmetry class of an atom

dt_symorder(ob,i);

[ returns dt_Integer ]
find the symmetry order for an atom

dt_tag(h);

[ returns dt_String ]

dt_toend(ob);

[ returns dt_Boolean ]
advance to the end of an object

dt_type(ob);

[ returns dt_Integer ]
return the type of an object

dt_typename(h);

[ returns dt_String ]

dt_uid(ob);

[ returns dt_Integer ]
find the 'unique ID' of an object

dt_uidrange(ob,typ);

[ returns dt_Integer ]
find the maximum 'unique ID' in an object

dt_weight(ob);

[ returns dt_Integer ]
return the atomic weight of an atom

dt_xatom(a,b);

[ returns dt_Handle ]
find the atom across a bond from an atom

$DX_ERR_NONE = 0

[ Constant: int ]
No error.

$DX_ERR_NOTE = 1

[ Constant: int ]
Note.

$DX_ERR_WARN = 2

[ Constant: int ]
Warning.

$DX_ERR_ERROR = 3

[ Constant: int ]
Real error.

$DX_ERR_FATAL = 4

[ Constant: int ]
Toolkit probably can't continue.

$DX_BTY_UNKNOWN = 0

[ Constant: int ]
no description

$DX_BTY_SINGLE = 1

[ Constant: int ]
no description

$DX_BTY_DOUBLE = 2

[ Constant: int ]
no description

$DX_BTY_TRIPLE = 3

[ Constant: int ]
no description

$DX_BTY_AROMAT = 4

[ Constant: int ]
no description

$DX_BTY_WILD = 5

[ Constant: int ]
no description

$DX_BTY_NONE = 6

[ Constant: int ]
no description

$DX_BTY_COUNT = ((6)+1)

[ Constant: int ]
no description

$DX_CHI_NONE = 0

[ Constant: int ]
No chirality

$DX_CHI_TH = 3

[ Constant: int ]
Tetrahedral

$DX_CHI_AL = 4

[ Constant: int ]
Tetrahedral

$DX_CHI_SP = 16

[ Constant: int ]
Square Planar

$DX_CHI_TB = 17

[ Constant: int ]
Trigonal Bipyramidal

$DX_CHI_OH = 18

[ Constant: int ]
Octahedral

$DX_CHI_THCCW = 196609

[ Constant: int ]
no description

$DX_CHI_THCW = 196610

[ Constant: int ]
no description

$DX_CHI_NO_DBO = 0

[ Constant: int ]
No orientation

$DX_CHI_CIS = 1

[ Constant: int ]
Cis (same-side) orientation

$DX_CHI_TRANS = 2

[ Constant: int ]
Trans (opposite-side) orientation

$DX_ROLE_REACTANT = 1

[ Constant: int ]
no description

$DX_ROLE_AGENT = 2

[ Constant: int ]
no description

$DX_ROLE_PRODUCT = 3

[ Constant: int ]
no description

$DX_ROLE_ANY = 4

[ Constant: int ]
no description

$DX_FORWARD = 0

[ Constant: int ]
no description

$DX_REVERSE = 1

[ Constant: int ]
no description

$DX_PROP_STRING = 1

[ Constant: int ]
no description

$DX_PROP_INTEGER = 2

[ Constant: int ]
no description

$DX_PROP_BOOLEAN = 3

[ Constant: int ]
no description

$DX_PROP_REAL = 4

[ Constant: int ]
no description

$DX_PROP_HANDLE = 5

[ Constant: int ]
no description

$DX_PROP_NOPROP = 0

[ Constant: int ]
no description

$TYP_ANY = 1

[ Constant: int ]
no description

$TYP_INTEGER = 13

[ Constant: int ]
no description

$TYP_REAL = 14

[ Constant: int ]
no description

$TYP_STRING = 15

[ Constant: int ]
no description

$TYP_MOLECULE = 16

[ Constant: int ]
no description

$TYP_CONFORMATION = 17

[ Constant: int ]
no description

$TYP_DEPICTION = 18

[ Constant: int ]
no description

$TYP_ATOM = 19

[ Constant: int ]
no description

$TYP_BOND = 20

[ Constant: int ]
no description

$TYP_CYCLE = 21

[ Constant: int ]
no description

$TYP_STREAM = 22

[ Constant: int ]
no description

$TYP_SEQUENCE = 23

[ Constant: int ]
no description

$TYP_SUBSTRUCT = 24

[ Constant: int ]
no description

$TYP_PATH = 25

[ Constant: int ]
no description

$TYP_PATTERN = 26

[ Constant: int ]
no description

$TYP_VBIND = 27

[ Constant: int ]
no description

$TYP_PATHSET = 28

[ Constant: int ]
no description

$TYP_SERVER = 30

[ Constant: int ]
no description

$TYP_DATABASE = 31

[ Constant: int ]
no description

$TYP_DATATREE = 32

[ Constant: int ]
no description

$TYP_DATAITEM = 33

[ Constant: int ]
no description

$TYP_DATAFIELD = 34

[ Constant: int ]
no description

$TYP_DATATYPE = 35

[ Constant: int ]
no description

$TYP_FIELDTYPE = 36

[ Constant: int ]
no description

$TYP_FINGERPRINT = 40

[ Constant: int ]
no description

$TYP_MERSERVER = 50

[ Constant: int ]
no description

$TYP_POOL = 51

[ Constant: int ]
no description

$TYP_HITLIST = 52

[ Constant: int ]
no description

$TYP_COLUMN = 53

[ Constant: int ]
no description

$TYP_MONOMERTABLE = 60

[ Constant: int ]
no description

$TYP_MONOMER = 61

[ Constant: int ]
no description

$TYP_MONOMERSET = 62

[ Constant: int ]
no description

$TYP_MULTIMER = 63

[ Constant: int ]
no description

$TYP_VARIMER = 64

[ Constant: int ]
no description

$TYP_MONOPATTERN = 65

[ Constant: int ]
no description

$TYP_VARIPATTERN = 66

[ Constant: int ]
no description

$TYP_PROGRAM = 70

[ Constant: int ]
no description

$TYP_REACTION = 80

[ Constant: int ]
no description

$TYP_TRANSFORM = 81

[ Constant: int ]
no description

$DX_ATN_H = 1

[ Constant: int ]
Hydrogen

$DX_ATN_He = 2

[ Constant: int ]
Helium

$DX_ATN_Li = 3

[ Constant: int ]
Lithium

$DX_ATN_Be = 4

[ Constant: int ]
Beryllium

$DX_ATN_B = 5

[ Constant: int ]
Boron

$DX_ATN_C = 6

[ Constant: int ]
Carbon

$DX_ATN_N = 7

[ Constant: int ]
Nitrogen

$DX_ATN_O = 8

[ Constant: int ]
Oxygen

$DX_ATN_F = 9

[ Constant: int ]
Fluorine

$DX_ATN_Ne = 10

[ Constant: int ]
Neon

$DX_ATN_Na = 11

[ Constant: int ]
Sodium

$DX_ATN_Mg = 12

[ Constant: int ]
Magnesium

$DX_ATN_Al = 13

[ Constant: int ]
Aluminum

$DX_ATN_Si = 14

[ Constant: int ]
Silicon

$DX_ATN_P = 15

[ Constant: int ]
Phosphorus

$DX_ATN_S = 16

[ Constant: int ]
Sulfur

$DX_ATN_Cl = 17

[ Constant: int ]
Chlorine

$DX_ATN_Ar = 18

[ Constant: int ]
Argon

$DX_ATN_K = 19

[ Constant: int ]
Potassium

$DX_ATN_Ca = 20

[ Constant: int ]
Calcium

$DX_ATN_Sc = 21

[ Constant: int ]
Scandium

$DX_ATN_Ti = 22

[ Constant: int ]
Titanium

$DX_ATN_V = 23

[ Constant: int ]
Vanadium

$DX_ATN_Cr = 24

[ Constant: int ]
Chromium

$DX_ATN_Mn = 25

[ Constant: int ]
Manganese

$DX_ATN_Fe = 26

[ Constant: int ]
Iron

$DX_ATN_Co = 27

[ Constant: int ]
Cobalt

$DX_ATN_Ni = 28

[ Constant: int ]
Nickel

$DX_ATN_Cu = 29

[ Constant: int ]
Copper

$DX_ATN_Zn = 30

[ Constant: int ]
Zinc

$DX_ATN_Ga = 31

[ Constant: int ]
Gallium

$DX_ATN_Ge = 32

[ Constant: int ]
Germanium

$DX_ATN_As = 33

[ Constant: int ]
Arsenic

$DX_ATN_Se = 34

[ Constant: int ]
Selenium

$DX_ATN_Br = 35

[ Constant: int ]
Bromine

$DX_ATN_Kr = 36

[ Constant: int ]
Krypton

$DX_ATN_Rb = 37

[ Constant: int ]
Rubidium

$DX_ATN_Sr = 38

[ Constant: int ]
Strontium

$DX_ATN_Y = 39

[ Constant: int ]
Yttrium

$DX_ATN_Zr = 40

[ Constant: int ]
Zirconium

$DX_ATN_Nb = 41

[ Constant: int ]
Niobium

$DX_ATN_Mo = 42

[ Constant: int ]
Molybdenum

$DX_ATN_Tc = 43

[ Constant: int ]
Technetium

$DX_ATN_Ru = 44

[ Constant: int ]
Ruthenium

$DX_ATN_Rh = 45

[ Constant: int ]
Rhodium

$DX_ATN_Pd = 46

[ Constant: int ]
Palladium

$DX_ATN_Ag = 47

[ Constant: int ]
Silver

$DX_ATN_Cd = 48

[ Constant: int ]
Cadmium

$DX_ATN_In = 49

[ Constant: int ]
Indium

$DX_ATN_Sn = 50

[ Constant: int ]
Tin

$DX_ATN_Sb = 51

[ Constant: int ]
Antimony

$DX_ATN_Te = 52

[ Constant: int ]
Tellurium

$DX_ATN_I = 53

[ Constant: int ]
Iodine

$DX_ATN_Xe = 54

[ Constant: int ]
Xenon

$DX_ATN_Cs = 55

[ Constant: int ]
Cesium

$DX_ATN_Ba = 56

[ Constant: int ]
Barium

$DX_ATN_La = 57

[ Constant: int ]
Lanthanum

$DX_ATN_Ce = 58

[ Constant: int ]
Cerium

$DX_ATN_Pr = 59

[ Constant: int ]
Praseodymium

$DX_ATN_Nd = 60

[ Constant: int ]
Neodymium

$DX_ATN_Pm = 61

[ Constant: int ]
Promethium

$DX_ATN_Sm = 62

[ Constant: int ]
Samarium

$DX_ATN_Eu = 63

[ Constant: int ]
Europium

$DX_ATN_Gd = 64

[ Constant: int ]
Gadolinium

$DX_ATN_Tb = 65

[ Constant: int ]
Terbium

$DX_ATN_Dy = 66

[ Constant: int ]
Dysprosium

$DX_ATN_Ho = 67

[ Constant: int ]
Holmium

$DX_ATN_Er = 68

[ Constant: int ]
Erbium

$DX_ATN_Tm = 69

[ Constant: int ]
Thulium

$DX_ATN_Yb = 70

[ Constant: int ]
Ytterbium

$DX_ATN_Lu = 71

[ Constant: int ]
Lutetium

$DX_ATN_Hf = 72

[ Constant: int ]
Hafnium

$DX_ATN_Ta = 73

[ Constant: int ]
Tantalum

$DX_ATN_W = 74

[ Constant: int ]
Tungsten

$DX_ATN_Re = 75

[ Constant: int ]
Rhenium

$DX_ATN_Os = 76

[ Constant: int ]
Osmium

$DX_ATN_Ir = 77

[ Constant: int ]
Iridium

$DX_ATN_Pt = 78

[ Constant: int ]
Platinum

$DX_ATN_Au = 79

[ Constant: int ]
Gold

$DX_ATN_Hg = 80

[ Constant: int ]
Mercury

$DX_ATN_Tl = 81

[ Constant: int ]
Thallium

$DX_ATN_Pb = 82

[ Constant: int ]
Lead

$DX_ATN_Bi = 83

[ Constant: int ]
Bismuth

$DX_ATN_Po = 84

[ Constant: int ]
Polonium

$DX_ATN_At = 85

[ Constant: int ]
Astatine

$DX_ATN_Rn = 86

[ Constant: int ]
Radon

$DX_ATN_Fr = 87

[ Constant: int ]
Francium

$DX_ATN_Ra = 88

[ Constant: int ]
Radium

$DX_ATN_Ac = 89

[ Constant: int ]
Actinium

$DX_ATN_Th = 90

[ Constant: int ]
Thorium

$DX_ATN_Pa = 91

[ Constant: int ]
Protactinium

$DX_ATN_U = 92

[ Constant: int ]
Uranium

$DX_ATN_Np = 93

[ Constant: int ]
Neptunium

$DX_ATN_Pu = 94

[ Constant: int ]
Plutonium

$DX_ATN_Am = 95

[ Constant: int ]
Americium

$DX_ATN_Cm = 96

[ Constant: int ]
Curium

$DX_ATN_Bk = 97

[ Constant: int ]
Berkelium

$DX_ATN_Cf = 98

[ Constant: int ]
Californium

$DX_ATN_Es = 99

[ Constant: int ]
Einsteinium

$DX_ATN_Fm = 100

[ Constant: int ]
Fermium

$DX_ATN_Md = 101

[ Constant: int ]
Mendelevium

$DX_ATN_No = 102

[ Constant: int ]
Nobelium

$DX_ATN_Lr = 103

[ Constant: int ]
Lawrencium

$DX_ATN_MAX = 103

[ Constant: int ]
Maximum legal atomic number

$DX_ATN_WILD = 0

[ Constant: int ]
Wildcard atom

4. dt_monomer.h

$DT_MONOMER_INCLUDED = 1

[ Constant: int ]
no description

$DX_MONO_OK = 0

[ Constant: int ]
dt_setbond() succeeded

$DX_BAD_PARAMETER = 1

[ Constant: int ]
Invalid parameter to function

$DX_DUP_CONNECTION_1 = 2

[ Constant: int ]
Position on m1's SMILES already used

$DX_DUP_CONNECTION_2 = 3

[ Constant: int ]
Position on m2's SMILES already used

$DX_MISSING_BOND = 4

[ Constant: int ]
Removing a bond that isn't there

$DX_ILLEGAL_BONDTYPE = 5

[ Constant: int ]
Unknown or illegal bondtype

$DX_NOT_NEIGHBORS = 6

[ Constant: int ]
Left/right bond to a non-neighbors

$DX_LEFT_RIGHT_CROSS = 7

[ Constant: int ]
Can't crosslink from left/right bonds

$DX_DIFFERENT_PARENTS = 8

[ Constant: int ]
Monomers are from different objects

$DX_NO_PARENT = 9

[ Constant: int ]
Monomer isn't part of a Multimer

$DX_MISMATCHED_BONDS = 10

[ Constant: int ]
Bonds of crosslink don't match

$DX_TOOLKIT_ERROR = 11

[ Constant: int ]
Other error; see dt_errors()

$DX_LEFT_BOND = 0

[ Constant: int ]
no description

$DX_RIGHT_BOND = -1

[ Constant: int ]
no description

$DX_BTY_MIXSEP = 10

[ Constant: int ]
no description

$DX_MONO_AND = 1

[ Constant: int ]
no description

$DX_MONO_OR = 2

[ Constant: int ]
no description

$DX_MONO_INFINITY = -1

[ Constant: int ]
no description

$DX_MONO_NOALIAS = 0

[ Constant: int ]
no description

$DX_MONO_ALLOW_ALIAS = 1

[ Constant: int ]
no description

$DX_NOT_MONOMER_OBJECT = -1

[ Constant: int ]
Unknown object for dt_badlyformed

$DX_MISSING_CROSSLINK = 1

[ Constant: int ]
Not enough crosslinks specified

$DX_ILLEGAL_START_MONOMER = 2

[ Constant: int ]
Monomer not valid in 1st position

$DX_END_HAS_RIGHT_BOND = 4

[ Constant: int ]
Monomer not valid in last position

$DX_MISMATCHED_RIGHT_BOND = 8

[ Constant: int ]
Mismatched bond to right-hand neighbor

$DX_MISMATCHED_LEFT_BOND = 16

[ Constant: int ]
Mismatched bond to left-hand neighbor

$DX_INVALID_BONDS = 1

[ Constant: int ]
Some monomer(set)s incorrectly bonded

dt_alloc_monomertable();

[ returns dt_Handle ]
allocate a new monomertable object

dt_alloc_monomerpat(parenth,mseth,operator,low_limit,high_limit);

[ returns dt_Handle ]
dt_alloc_monomerpat

dt_alloc_monomerset(parenth);

[ returns dt_Handle ]
allocate a new monomerset object

dt_alloc_multimer(monomertable);

[ returns dt_Handle ]
allocate a new multimer object

dt_alloc_varimer(monomertable);

[ returns dt_Handle ]
allocate a new varimer object

dt_alloc_varimerpat(parenth);

[ returns dt_Handle ]
allocate a new varimer pattern object

dt_define_monomer(h,s,s2,s3);

[ returns dt_Handle ]

dt_alloc_mono_path(mvh);

[ returns dt_Handle ]
allocate a new multimer or varimer based path object

dt_alloc_mono_pathset(mvh);

[ returns dt_Handle ]
allocate a new pathset object

dt_getbyval(h,s);

[ returns dt_Handle ]

dt_getbysym(h,s,i);

[ returns dt_Handle ]

dt_badlyformed(obh);

[ returns dt_Handle ]
test an object for chemical validity

dt_canchuck(h);

[ returns dt_String ]

dt_equal(mv1,mv2);

[ returns dt_Boolean ]
test if two objects are equal

dt_getbond(m1h,r1);

[ returns dt_Integer ]
retrieve the monomer bonded to an object

dt_intersection(mv1,mv2,mv3);

[ returns dt_Handle ]
compute the intersection of two multimer or varimer objects

dt_neighbors(ob);

[ returns dt_Handle ]
return a sequence of an object's neighbors

dt_setbond(m1h,r1,m2h,r2,btyp);

[ returns dt_Integer ]
specify a bond between two sibling objects

dt_subset(mv1,mv2);

[ returns dt_Boolean ]
find if an object is a set theoretic subset of another object

dt_union(mv1,mv2,mv3);

[ returns dt_Handle ]
form the set union of two objects

dt_chuckin(h,s);

[ returns dt_Handle ]

dt_chortin(h,s);

[ returns dt_Handle ]

dt_chartin(h,s);

[ returns dt_Handle ]

dt_uid2multimer(vh,uid);

[ returns dt_Handle ]
dt_uid2multimer

5. dt_smarts.h

dt_alloc_pathset(m);

[ returns dt_Handle ]
allocate a new pathset object

dt_alloc_vbind(s);

[ returns dt_Handle ]

dt_getval(ob);

[ returns dt_Handle ]
retrieve the value of a binding

dt_pattern(transform,role);

[ returns dt_Handle ]
retrieve a reactant or product pattern from a reaction transform

dt_setval(ob,val);

[ returns dt_Boolean ]
bind a new value to a vector binding

dt_smartin(s);

[ returns dt_Handle ]

dt_smarts_opt(s2,b);

[ returns dt_String ]

dt_smirkin(s);

[ returns dt_Handle ]

dt_transform(transform,som,direction,limit);

[ returns dt_Handle ]
apply a reaction transform to an object

dt_utransform(transform,som,direction,limit);

[ returns dt_Handle ]
transform the coordinates of an object

dt_xtransform(transform,som,direction,limit);

[ returns dt_Handle ]
apply a transform to a molecule or sequence

dt_umatch(ob,mol,ex);

[ returns dt_Handle ]
match a pattern against an object

dt_vmatch(ob,mol,ex);

[ returns dt_Handle ]
match a pattern against an object

dt_xmatch(ob,mol,ex);

[ returns dt_Handle ]
match a pattern against an object

6. dt_finger.h

$DT_FINGER_INCLUDED = 1

[ Constant: int ]
no description

$DX_FP_SET = 0

[ Constant: int ]
no description

$DX_FP_NOT = 1

[ Constant: int ]
no description

$DX_FP_AND = 2

[ Constant: int ]
no description

$DX_FP_OR = 3

[ Constant: int ]
no description

$DX_FP_XOR = 4

[ Constant: int ]
no description

dt_fp_allocfp(size);

[ returns dt_Handle ]
allocate a new fingerprint

dt_fp_bitcount(fph);

[ returns dt_Integer ]
count the number of set bits in a fingerprint

dt_fp_bitvalue(fph,bitno);

[ returns dt_Integer ]
retrieve the value of a bit in a fingerprint

dt_fp_differencefp(obh,minsteps,steps,size);

[ returns dt_Handle ]
compute a difference fingerprint for a reaction object

dt_fp_euclid(fpth,fpoh);

[ returns dt_Real ]
compute the euclidean distance between two fingerprints

dt_fp_fingertest(fpth,fpoh);

[ returns dt_Integer ]
test a fingerprint for bitwise inclusion in another fingerprint

dt_fp_foldfp(fph,minsize,mindensity);

[ returns dt_Boolean ]
fold a fingerprint zero or more times

dt_fp_generatefp(obh,minsteps,steps,size);

[ returns dt_Handle ]
generate a fingerprint from an object

dt_fp_nbits(fph);

[ returns dt_Integer ]
retrieve the fingerprint size

dt_fp_obitcount(fph);

[ returns dt_Integer ]
retrieve the number of set bits in an unfolded fingerprint

dt_fp_obits(fph);

[ returns dt_Integer ]
retrieve the unfolded size of a fingerprint

dt_fp_partfp(part,obh,minsteps,steps,size);

[ returns dt_Handle ]
generate a partial fingerprint

dt_fp_range(h,i2,i3);

[ returns dt_String ]

dt_fp_setbitvalue(fph,bitno,value);

[ returns dt_Boolean ]
specify the value of a bit in a fingerprint

dt_fp_setobitcount(fph,obitcount);

[ returns dt_Boolean ]
specify the number of bits set in the unfolded fingerprint

dt_fp_setobits(fph,obits);

[ returns dt_Boolean ]
specify the number of bits in the unfolded fingerprint

dt_fp_setrange(h,i,i2,s,i3,i4);

[ returns dt_Integer ]

dt_fp_tanimoto(fpth,fpoh);

[ returns dt_Real ]
compute the tanimoto coefficient of two fingerprints

dt_fp_tversky(fpah,fpbh,alpha,beta);

[ returns dt_Real ]
compute the Tversky coefficient of two fingerprints

7. dt_progob.h

$DX_PT_NONE = 0

[ Constant: int ]
no description

$DX_PT_CR = 1

[ Constant: int ]
The default for newly created programs

$DX_PT_MSGLIST = Qwerty: Say MSGLIST.

[ Constant: char * ]
no description

$DX_PT_HELP = Qwerty: Say HELP.

[ Constant: char * ]
no description

$DX_PT_PROGRAM = Qwerty: Say PROGRAM.

[ Constant: char * ]
no description

$DX_PT_VERSION = Qwerty: Say VERSION.

[ Constant: char * ]
no description

$DX_PT_NOTICE = Qwerty: Say NOTICE.

[ Constant: char * ]
no description

$DX_PT_EOM = Qwerty: Over.

[ Constant: char * ]
no description

$DX_PT_EOT = Qwerty: Over and out.

[ Constant: char * ]
no description

dt_alloc_program(ob);

[ returns dt_Handle ]
allocate a new program object

dt_welcome(prog);

[ returns dt_Handle ]
retrieve a pipetalk welcome message

dt_converse(prog,msgob);

[ returns dt_Handle ]
communicate with a program object

dt_delimiter(prog);

[ returns dt_Integer ]
retrieve the pipetalk delimiter for a program object

dt_setdelimiter(prog,value);

[ returns dt_Boolean ]
specify the pipetalk line delimiter

8. dt_thor.h

$DT_THOR_INCLUDED = 1

[ Constant: int ]
no description

$DX_THOR_USER = thor

[ Constant: char * ]
Privileged user's login name

$DX_INFO_USER = thorinfo

[ Constant: char * ]
Restricted user's login name

$DX_THOR_FIRSTONLY = 0

[ Constant: int ]
no description

$DX_THOR_FINDALL = 1

[ Constant: int ]
no description

$DX_THOR_CACHE_OFF = 0x0000

[ Constant: int ]
no caching

$DX_THOR_CACHE_WRITETHRU = 0x0001

[ Constant: int ]
cache hash table, write-thru

$DX_THOR_CACHE_READWRITE = 0x0002

[ Constant: int ]
cache hash table

$DX_THOR_CACHE_WRITETHRU_ALL = 0x0003

[ Constant: int ]
cache everything, write-thru

$DX_THOR_CACHE_READWRITE_ALL = 0x0004

[ Constant: int ]
cache everything

$DX_THOR_CACHE_DATA_AND_XREFS = 0x0000

[ Constant: int ]
cache TDTs and xrefs

$DX_THOR_CACHE_DATA_ONLY = 0x0100

[ Constant: int ]
only cache primary TDTs

$DX_THOR_CACHE_XREFS_ONLY = 0x0200

[ Constant: int ]
only cache cross references

$DX_THOR_CACHE_NEVER = 0

[ Constant: int ]
disable caching

$DX_THOR_CACHE_ON_REQUEST = 1

[ Constant: int ]
caching on client request

$DX_THOR_CACHE_ALWAYS = 2

[ Constant: int ]
cache whether requested or not

$DX_THOR_INDIRECT_GETONE = 0

[ Constant: int ]
no description

$DX_THOR_INDIRECT_GETALL = 1

[ Constant: int ]
no description

$DX_THOR_DATATYPESDB = 0

[ Constant: int ]
no description

$DX_THOR_INDIRECTDB = 1

[ Constant: int ]
no description

$DX_THOR_MONOMERDB = 2

[ Constant: int ]
no description

$DX_MESSAGE_NONE = 0

[ Constant: int ]
no description

$DX_MESSAGE_NOW = 1

[ Constant: int ]
no description

$DX_MESSAGE_RECORD = 2

[ Constant: int ]
no description

$DX_MESSAGE_FILE = 3

[ Constant: int ]
no description

$DX_THOR_WRITE = 0

[ Constant: int ]
no description

$DX_THOR_WRITE_MERGE = 1

[ Constant: int ]
no description

$DX_THOR_OVERWRITE = 2

[ Constant: int ]
no description

$DX_THOR_MERGE = 3

[ Constant: int ]
no description

$DX_THOR_WRITE_KEEPLOCK = 4

[ Constant: int ]
no description

$DX_THOR_WRITE_MERGE_KEEPLOCK = 5

[ Constant: int ]
no description

$DX_THOR_OVERWRITE_KEEPLOCK = 6

[ Constant: int ]
no description

$DX_THOR_UNLOCK = 7

[ Constant: int ]
no description

$DX_THOR_ROLLBACK = 8

[ Constant: int ]
no description

dt_thor_alloc_dataitem(tdth,dtypeh);

[ returns dt_Handle ]
allocate a new dataitem object in a TDT

dt_thor_autocrunch_limit(dbh,limit);

[ returns dt_Real ]
specify the trigger for automatic unused space recovery

dt_thor_cache(dbh,level);

[ returns dt_Integer ]
specify the caching strategy for a database

dt_thor_cachecontrol(dbh,when,level);

[ returns dt_Integer ]
specify the caching strategy for a database

dt_thor_cachesync(dbh);

[ returns dt_Integer ]
write all cached data to disk

dt_thor_createdb(h,s,i,i2);

[ returns dt_Handle ]

dt_thor_crunchdata(dbh);

[ returns dt_Integer ]
recover unused space from a database

dt_thor_crunchxref(dbh);

[ returns dt_Integer ]
dt_thor_crunchxref

dt_thor_destroy(h,s,s2);

[ returns dt_Boolean ]

dt_thor_indirect_hint(dbh,hint);

[ returns dt_Integer ]
specify the "hint" for indirect data fetching

dt_thor_getauxillarydb(h,i2);

[ returns dt_String ]

dt_thor_moveitem(moveh,afterh);

[ returns dt_Integer ]
move an object within a TDT

dt_thor_raw_datafield(h);

[ returns dt_String ]

dt_thor_readonly(dbh);

[ returns dt_Boolean ]
dt_thor_readonly

dt_thor_server(s,s2,s3,s4);

[ returns dt_Handle ]

dt_thor_setauxillarydb(h,i,s);

[ returns dt_Boolean ]

dt_thor_setreadonly(h,s,b);

[ returns dt_Boolean ]

dt_thor_settdtlocking(h,s,b);

[ returns dt_Boolean ]

dt_thor_str2tdt(h,s,i);

[ returns dt_Handle ]

dt_thor_tdt2str(h,i2);

[ returns dt_String ]

dt_thor_tdtlocking(dbh);

[ returns dt_Boolean ]
determine if record locking is enforced for a database

dt_thor_tdtget(h,h2,s,i);

[ returns dt_Handle ]

dt_thor_tdtget_raw(h,s,s2,b);

[ returns dt_Handle ]

dt_thor_tdtlockedby(h,s2);

[ returns dt_String ]

dt_thor_tdtmerge(t1h,t2h);

[ returns dt_Handle ]
merge one TDT with another

dt_thor_tdtremove(tdth);

[ returns dt_Integer ]
remove a TDT from a database

dt_thor_tdtremove_raw(h,s,s2);

[ returns dt_Integer ]

dt_thor_tdtput(tdth,how);

[ returns dt_Integer ]
insert a TDT into a database

dt_thor_tdtput_raw(h,s,i);

[ returns dt_Integer ]

dt_thor_tdtrevise(tdth);

[ returns dt_Integer ]
rewrite a TDT in preparation for storage

dt_thor_xrefget(h,h2,s);

[ returns dt_Handle ]

9. dt_merlin.h

$DT_MERLIN_INCLUDED = 1

[ Constant: int ]
no description

$DX_TAG_SIMILARITY = SIMILARITY

[ Constant: char * ]
no description

$DX_TAG_SMILES = $SMI

[ Constant: char * ]
no description

$DX_TAG_ISOSMILES = $ISM

[ Constant: char * ]
no description

$DX_TAG_FINGERPRINT = FP

[ Constant: char * ]
no description

$DX_FUNC_FIRST = 0

[ Constant: int ]
no description

$DX_FUNC_LAST = 1

[ Constant: int ]
no description

$DX_FUNC_MIN = 2

[ Constant: int ]
no description

$DX_FUNC_MAX = 3

[ Constant: int ]
no description

$DX_FUNC_LONGEST = 4

[ Constant: int ]
no description

$DX_FUNC_SHORTEST = 5

[ Constant: int ]
no description

$DX_FUNC_ALL = 6

[ Constant: int ]
no description

$DX_FUNC_AVG = 7

[ Constant: int ]
no description

$DX_FUNC_STDDEV = 8

[ Constant: int ]
no description

$DX_FUNC_COUNT = 9

[ Constant: int ]
no description

$DM_NFUNCS = 10

[ Constant: int ]
number of DX_FUNC_ definitions

$DX_SORT_ASC = 0

[ Constant: int ]
straight ASCII comparison

$DX_SORT_ANC = 1

[ Constant: int ]
ignore case

$DX_SORT_ANP = 2

[ Constant: int ]
ignore whitespace

$DX_SORT_ANW = 3

[ Constant: int ]
ignore punctuation

$DX_SORT_ANCP = 4

[ Constant: int ]
ignore case, punctuation

$DX_SORT_ANCW = 5

[ Constant: int ]
ignore case, whitespace

$DX_SORT_ANPW = 6

[ Constant: int ]
ignore punctuation, whitespace

$DX_SORT_ANCPW = 7

[ Constant: int ]
ignore case, punct, whitespace

$DX_SORT_AAZ = 8

[ Constant: int ]
ignore all except a-z and A-Z

$DX_SORT_NUM = 9

[ Constant: int ]
numeric sort

$DX_SORT_NAB = 10

[ Constant: int ]
absolute-value numeric sort

$DX_SORT_CAS = 11

[ Constant: int ]
sort by Chem. Abstracts number

$DX_SORT_MFM = 12

[ Constant: int ]
sort by molecular formula

$DX_SORT_LEN = 13

[ Constant: int ]
sort by length

$DM_NSORTS = 14

[ Constant: int ]
number of DX_SORT_ definitions

$DX_ACTION_NEW_LIST = 0

[ Constant: int ]
no description

$DX_ACTION_ADD_HITS = 1

[ Constant: int ]
no description

$DX_ACTION_ADD_NONHITS = 2

[ Constant: int ]
no description

$DX_ACTION_DEL_HITS = 3

[ Constant: int ]
no description

$DX_ACTION_DEL_NONHITS = 4

[ Constant: int ]
no description

$DX_ACTION_NEXT_HIT = 5

[ Constant: int ]
no description

$DX_ACTION_NEXT_NONHIT = 6

[ Constant: int ]
no description

$DM_NACTIONS = 7

[ Constant: int ]
number of DX_ACTION_ definitions

$DX_STRING_ASCII = 0

[ Constant: int ]
ascii match

$DX_STRING_NC = 1

[ Constant: int ]
ignore case

$DX_STRING_NW = 2

[ Constant: int ]
ignore whitespace

$DX_STRING_NP = 3

[ Constant: int ]
ignore punctuation

$DX_STRING_NCW = 4

[ Constant: int ]
ignore case, whitespace

$DX_STRING_NCP = 5

[ Constant: int ]
ignore case, punctuation

$DX_STRING_NPW = 6

[ Constant: int ]
ignore punctuation, whitespace

$DX_STRING_NCPW = 7

[ Constant: int ]
ignore case, punct, whitespace

$DX_STRING_REGEXP = 8

[ Constant: int ]
search using regular expression

$DX_STRING_APPROX = 9

[ Constant: int ]
search using approximate matching

$DM_NSTRINGS = 10

[ Constant: int ]
number of DX_SSTRING_ definitions

$DX_SUPER_SMILES = 0

[ Constant: int ]
fast search SMILES & Fingerprints

$DX_SUPER_SMARTS = 1

[ Constant: int ]
SMARTS search (no screening)

$DX_SUPER_CHARTS = 2

[ Constant: int ]
Searching Mult/Varimers w/ CHARTS

$DX_SUPER_SMILESPART = 3

[ Constant: int ]
fast search SMILES use FPP<>

$DX_SUPER_SMARTSPART = 4

[ Constant: int ]
SMARTS search use FPP<>

$DM_NSUPERS = 5

[ Constant: int ]
number of DX_SUPER_ search types

$DX_SUBSTRUCT_SMILES = 0

[ Constant: int ]
for consistency tho' just one

$DM_NSUBSTRUCTS = 1

[ Constant: int ]
number of DX_SUBSTRUCT_ searches

$DX_SIMILAR_TANIMOTO = 0

[ Constant: int ]
Tanimoto coefficient

$DX_SIMILAR_EUCLIDIAN = 1

[ Constant: int ]
Euclidian distance

$DX_SIMILAR_TVERSKY = 2

[ Constant: int ]
Tversky similarity

$DM_NSIMILAR = 3

[ Constant: int ]
number of similarity searches

$DX_STATUS_IN_PROGRESS = 0

[ Constant: int ]
not finished, task in progress

$DX_STATUS_DONE = 1

[ Constant: int ]
finished search, target found

$DX_STATUS_NOT_FOUND = 2

[ Constant: int ]
finished search, target not found

$DX_STATUS_ERROR = 3

[ Constant: int ]
error, operation not performed

dt_mer_server(s,s2,s3,s4);

[ returns dt_Handle ]

dt_mer_action2name(h,i2);

[ returns dt_String ]

dt_mer_function2name(h,i2);

[ returns dt_String ]

dt_mer_search2name(h,i2);

[ returns dt_String ]

dt_mer_similar2name(h,i2);

[ returns dt_String ]

dt_mer_sort2name(h,i2);

[ returns dt_String ]

dt_mer_subselect2name(h,i2);

[ returns dt_String ]

dt_mer_superselect2name(h,i2);

[ returns dt_String ]

dt_mer_progob2name(h,i2);

[ returns dt_String ]

dt_mer_nactions(serverh);

[ returns dt_Integer ]
retrieve the number of action capabilities

dt_mer_nfunctions(serverh);

[ returns dt_Integer ]
retrieve the number of column function capabilities

dt_mer_nsearches(serverh);

[ returns dt_Integer ]
retrieve the number of search capabilities

dt_mer_nsimilars(serverh);

[ returns dt_Integer ]
retrieve the number of similarity capabilities

dt_mer_nsorts(serverh);

[ returns dt_Integer ]
retrieve the number of sort capabilities

dt_mer_nsubselects(serverh);

[ returns dt_Integer ]
retrieve the number of subselection capabilities

dt_mer_nsuperselects(serverh);

[ returns dt_Integer ]
get the number of superstructure capabilities

dt_mer_nprogobs(serverh);

[ returns dt_Integer ]
retrieve the number of program objects

dt_mer_getnitems(pool,dtype);

[ returns dt_Integer ]
retrieve the number of dataitems of given datatype

dt_mer_alloc_column(poolh,ftypeh,functype);

[ returns dt_Handle ]
create a column of data in a pool

dt_mer_function(colh);

[ returns dt_Integer ]
retrieves the function used to create a column

dt_mer_alloc_hitlist(poolh);

[ returns dt_Handle ]
create a hitlist object

dt_mer_clear(hith);

[ returns dt_Integer ]
clears a hitlist

dt_mer_combinehitlists(hith1,hh2,action);

[ returns dt_Integer ]
combine two hitlists

dt_mer_hit2id(hith,ihit);

[ returns dt_Integer ]
convert a hitlist index to a row identifier

dt_mer_id2hit(hith,id);

[ returns dt_Integer ]
convert a row identifier to a hitlist index

dt_mer_invert(hith);

[ returns dt_Integer ]
complement a hitlist with respect to a database

dt_mer_length(hith);

[ returns dt_Integer ]
return the number of items in a hitlist

dt_mer_mvbottom(hith,ihit);

[ returns dt_Integer ]
move an item to the bottom of a hitlist

dt_mer_mvtop(hith,ihit);

[ returns dt_Integer ]
move an item to the top of a hitlist

dt_mer_native(hith);

[ returns dt_Integer ]
reset the row order of a hitlist to native order

dt_mer_reset(hith);

[ returns dt_Integer ]
reset the row order of a hitlist to native order

dt_mer_reverse(hith);

[ returns dt_Integer ]
reverse the row order of a hitlist

dt_mer_sethits(hith,ch,sq);

[ returns dt_Integer ]
explicitly specify additional hits for a hitlist

dt_mer_zapabove(hith,ihit);

[ returns dt_Integer ]
delete rows before a specified row in a hitlist

dt_mer_zapbelow(hith,ihit);

[ returns dt_Integer ]
delete rows beyond a specified row in a hitlist

dt_mer_zapna(hith,colh);

[ returns dt_Integer ]
delete rows with no data from a hitlist

dt_mer_zapnonunique(hith,colh);

[ returns dt_Integer ]
delete redundant rows from a hitlist

dt_mer_sort(hith,colh,sort,ascending);

[ returns dt_Integer ]
initiate a sort two additional dt_mer_strsearch entries to handle invalid string

dt_mer_strsearch_range(h,h2,i,i2,i3,s,s2);

[ returns dt_Integer ]

dt_mer_strsearch_match(h,h2,i,i2,i3,s);

[ returns dt_Integer ]

dt_mer_strsearch(h,h2,i,i2,i3,s,s2);

[ returns dt_Integer ]

dt_mer_numsearch(hith,colh,action,find_next,low,high);

[ returns dt_Integer ]
initiate a numeric search

dt_mer_subselect(h,h2,i,i2,i3,s);

[ returns dt_Integer ]

dt_mer_superselect(h,h2,i,i2,i3,s);

[ returns dt_Integer ]

dt_mer_supermixtureselect(h,h2,i,i2,i3,s);

[ returns dt_Integer ]

dt_mer_submixtureselect(h,h2,i,i2,i3,s);

[ returns dt_Integer ]

dt_mer_similarselect(h,h2,i,i2,i3,s,r,r2,r3);

[ returns dt_Integer ]

dt_mer_progob_compare(hith,target_colh,results_colh,iprogob,pattern_bin,parameters);

[ returns dt_Integer ]
invoke a program object comparison

dt_mer_progob_compute(poolh,iprogob,strobj,parms);

[ returns dt_Handle ]
invoke a program object computation

dt_mer_progob_computeparams(poolh,iprogob);

[ returns dt_Handle ]
retrieve parameter names and default values for a program object computation

dt_mer_progob_compareparams(poolh,iprogob);

[ returns dt_Handle ]
retrieve parameter names and default values for a program object comparison

dt_mer_cellvalue(h,h2,i2);

[ returns dt_String ]

dt_mer_getdata(h,i2,h2,i3);

[ returns dt_String ]

dt_mer_getroot(h,i2);

[ returns dt_String ]

dt_mer_defaultsort(colh);

[ returns dt_Integer ]
retrieves the default sort for a column

dt_mer_sortapplies(colh,sort);

[ returns dt_Boolean ]
tests if a sort can be applied to a column

dt_mer_funcapplies(ftypeh,function);

[ returns dt_Boolean ]
tests if a function can be applied to a column