(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 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
(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
(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 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
(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 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 ]
(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