$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
$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 ]
$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
$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
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
$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
$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
$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 ]
$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