Daylight Toolkit Bindings


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 return_status )

[ 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 isnew )

[ 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 errcode )

[ 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 pm2 pr2 )

[ 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 soffset )

[ 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 isnew )

[ 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 isnew )

[ 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 iserror )

[ 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 isnew )

[ 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 pret_status )

[ 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 pstatus s s2 )

[ returns dt_Integer ]

(dt_mer_strsearch_match h h2 i i2 i3 pstatus s )

[ returns dt_Integer ]

(dt_mer_strsearch h h2 i i2 i3 pstatus s s2 )

[ returns dt_Integer ]

(dt_mer_numsearch hith colh action find_next ret_status low high )

[ returns dt_Integer ]
initiate a numeric search

(dt_mer_subselect h h2 i i2 i3 pstatus s )

[ returns dt_Integer ]

(dt_mer_superselect h h2 i i2 i3 pstatus s )

[ returns dt_Integer ]

(dt_mer_supermixtureselect h h2 i i2 i3 pstatus s )

[ returns dt_Integer ]

(dt_mer_submixtureselect h h2 i i2 i3 pstatus s )

[ returns dt_Integer ]

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

[ returns dt_Integer ]

(dt_mer_progob_compare hith target_colh results_colh iprogob pattern_bin parameters pstatus )

[ 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