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3e6cb74075e6a683df88df517c2635a1663d5526
rdkit/Python/Dbase/testData/rdtest.sql
Greg Landrum 75a79b6327 initial import
2006-05-06 22:20:08 +00:00

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--
-- PostgreSQL database dump
--
\connect - sysdba
SET search_path = public, pg_catalog;
--
-- TOC entry 2 (OID 18021)
-- Name: ten_elements; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE ten_elements (
id integer,
val integer
);
--
-- TOC entry 3 (OID 18077)
-- Name: ten_elements_dups; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE ten_elements_dups (
id integer,
val integer
);
--
-- TOC entry 4 (OID 18479)
-- Name: simple_mols; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE simple_mols (
smiles character varying(15),
id character varying(7)
);
--
-- TOC entry 5 (OID 18493)
-- Name: simple_mols_fps; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE simple_mols_fps (
id character varying(7) NOT NULL,
autofragmentfp bytea
);
--
-- TOC entry 6 (OID 18514)
-- Name: simple_combined; Type: VIEW; Schema: public; Owner: sysdba
--
CREATE VIEW simple_combined AS
SELECT mols.id, mols.smiles, fps.autofragmentfp FROM (simple_mols mols JOIN simple_mols_fps fps ON ((fps.id = mols.id)));
--
-- TOC entry 7 (OID 19047)
-- Name: ferro_quant; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE ferro_quant (
compound character varying(7),
max_ded integer,
elconc integer,
atvol integer,
has3d integer,
has4d integer,
has5d integer,
isferromagnetic integer
);
--
-- TOC entry 8 (OID 19144)
-- Name: ferro_noquant; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE ferro_noquant (
compound character varying(7),
elconc double precision,
atvol double precision,
has3d integer,
has4d integer,
has5d integer,
max_ded double precision,
isferromagnetic integer
);
--
-- TOC entry 9 (OID 19249)
-- Name: ferro_noquant_realact; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE ferro_noquant_realact (
compound character varying(7),
elconc double precision,
atvol double precision,
has3d integer,
has4d integer,
has5d integer,
max_ded double precision,
isferromagnetic double precision
);
--
-- TOC entry 10 (OID 19368)
-- Name: basic_2class; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE basic_2class (
id character varying(5),
val double precision,
act integer
);
--
-- TOC entry 11 (OID 19382)
-- Name: float_2class; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE float_2class (
id character varying(5),
val double precision,
act double precision
);
--
-- TOC entry 12 (OID 58741)
-- Name: bit_ensemble_test; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE bit_ensemble_test (
id character varying(10),
bit_1 smallint,
bit_3 smallint,
bit_4 smallint,
act integer
);
--
-- TOC entry 13 (OID 160034)
-- Name: test_view; Type: VIEW; Schema: public; Owner: sysdba
--
CREATE VIEW test_view AS
SELECT ten_elements.val, ten_elements.id FROM ten_elements;
--
-- TOC entry 14 (OID 160035)
-- Name: new_table; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE new_table (
id integer,
val1 integer,
val2 integer
);
--
-- TOC entry 15 (OID 160047)
-- Name: fromtext; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE fromtext (
int_col integer,
floatcol double precision,
strcol character varying(4)
);
--
-- TOC entry 16 (OID 160052)
-- Name: fromtext2; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE fromtext2 (
int_col integer,
floatcol double precision,
strcol character varying(4)
);
--
-- TOC entry 17 (OID 160058)
-- Name: storagetest; Type: TABLE; Schema: public; Owner: sysdba
--
CREATE TABLE storagetest (
id character varying(32) NOT NULL,
label character varying(40),
val integer
);
--
-- Data for TOC entry 20 (OID 18021)
-- Name: ten_elements; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY ten_elements (id, val) FROM stdin;
0 11
2 21
4 31
6 41
8 51
10 61
12 71
14 81
16 91
18 101
\.
--
-- Data for TOC entry 21 (OID 18077)
-- Name: ten_elements_dups; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY ten_elements_dups (id, val) FROM stdin;
0 11
0 11
2 21
2 21
4 31
4 31
6 41
6 41
8 51
8 51
10 61
10 61
12 71
12 71
14 81
14 81
16 91
16 91
18 101
18 101
\.
--
-- Data for TOC entry 22 (OID 18479)
-- Name: simple_mols; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY simple_mols (smiles, id) FROM stdin;
COC ether-1
CC(=O)O acid-1
c1ccccc1 arom-1
CCOC ether-2
CCC(=O)O acid-2
Cc1ccccc1 arom-2
CCOCC ether-3
CC(C)C(=O)O acid-3
Cc1cc(C)ccc1 arom-3
CCCOCC ether-4
CCC(C)C(=O)O acid-4
Cc1cc(C)cc(C)c1 arom-4
\.
--
-- Data for TOC entry 23 (OID 18493)
-- Name: simple_mols_fps; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY simple_mols_fps (id, autofragmentfp) FROM stdin;
ether-1 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(U\\025àÿÿÿ\\200\\000\\000\\000\\010\\000\\000\\000@6\\022\\002\\014\\036\\016,\\002tRq\\002.
acid-1 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(U&àÿÿÿ\\200\\000\\000\\000\\031\\000\\000\\000\\002(\\000\\006\\006\\000\\014\\004\\000\\000\\012\\012\\006\\000\\022\\020\\004\\026\\006\\000\\004\\020\\010\\000\\000\\020tRq\\002.
arom-1 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(U$àÿÿÿ\\200\\000\\000\\000\\027\\000\\000\\000:\\020\\000\\010\\000\\024\\026\\006\\010\\002\\014\\002\\000\\006\\010\\014\\012\\000\\000\\004\\004\\000\\010\\004tRq\\002.
ether-2 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(U àÿÿÿ\\200\\000\\000\\000\\023\\000\\000\\000(\\026\\016\\002\\000\\014\\022\\022\\000\\000\\014\\004\\000\\026\\010\\004\\036\\002\\010\\002tRq\\002.
acid-2 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(U2àÿÿÿ\\200\\000\\000\\000%\\000\\000\\000\\002\\010\\022\\006\\002\\000\\006\\004\\000\\000\\006\\004\\004\\000\\000\\012\\010\\000\\006\\000\\022\\000\\016\\004\\020\\002\\000\\002\\002\\000\\004\\004\\000\\010\\010\\000\\000\\020tRq\\002.
arom-2 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(UFàÿÿÿ\\200\\000\\000\\0009\\000\\000\\000\\002\\000\\016\\016\\000\\006\\012\\010\\000\\002\\000\\000\\006\\000\\000\\000\\004\\000\\000\\000\\006\\000\\016\\000\\000\\000\\004\\000\\000\\004\\000\\002\\002\\002\\002\\000\\002\\000\\000\\000\\002\\010\\004\\000\\000\\002\\000\\010\\000\\000\\000\\002\\000\\002\\000\\010\\000\\002tRq\\002.
ether-3 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(U"àÿÿÿ\\200\\000\\000\\000\\025\\000\\000\\000\\030\\016\\026\\016\\002\\000\\014\\022\\022\\000\\000\\014\\004\\000\\026\\010\\000\\002\\036\\002\\010\\002tRq\\002.
acid-3 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(U<àÿÿÿ\\200\\000\\000\\000/\\000\\000\\000\\002\\010\\022\\006\\002\\000\\000\\004\\004\\000\\000\\002\\002\\004\\000\\002\\000\\000\\000\\010\\004\\002\\000\\000\\004\\000\\016\\002\\000\\016\\004\\020\\002\\000\\002\\002\\000\\004\\004\\000\\004\\002\\010\\000\\000\\010\\000\\004tRq\\002.
arom-3 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(Udàÿÿÿ\\000\\001\\000\\000W\\000\\000\\000\\004\\016\\030\\000\\002\\004\\006\\000\\004\\000\\000\\006\\000\\002\\004\\000\\014\\016\\000\\000\\002\\000\\000\\000\\000\\004\\004\\012\\000\\002\\004\\014\\004\\000\\000\\002\\000\\010\\000\\002\\002\\000\\016\\000\\004\\014\\022\\000\\004\\000\\016\\006\\004\\010\\002\\002\\006\\000\\000\\004\\016\\002\\002\\004\\000\\006\\000\\000\\000\\002\\002\\002\\004\\000\\000\\000\\002\\020\\000\\000\\000\\000\\004\\006\\012\\000\\010\\004tRq\\002.
ether-4 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(U,àÿÿÿ\\200\\000\\000\\000\\037\\000\\000\\000\\000\\012\\012\\006\\006\\014\\010\\016\\002\\000\\014\\010\\010\\020\\000\\000\\000\\014\\004\\000\\020\\002\\000\\002\\004\\000\\002\\004\\030\\002\\010\\002tRq\\002.
acid-4 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(UOàÿÿÿ\\200\\000\\000\\000B\\000\\000\\000\\000\\000\\010\\000\\004\\012\\000\\004\\002\\000\\000\\004\\002\\000\\000\\000\\002\\000\\000\\000\\002\\000\\002\\000\\000\\000\\004\\002\\004\\002\\000\\000\\002\\000\\000\\002\\002\\000\\004\\002\\000\\010\\000\\002\\004\\000\\002\\012\\002\\000\\002\\002\\000\\004\\004\\000\\002\\000\\000\\000\\010\\000\\000\\004\\002\\000\\004tRq\\002.
arom-4 cDataStructs.cDataStructs\\012ExplicitBitVect\\012q\\001(Uhàÿÿÿ\\000\\001\\000\\000[\\000\\000\\000\\004\\016\\030\\000\\002\\004\\006\\000\\004\\000\\000\\006\\000\\002\\004\\000\\014\\016\\000\\000\\002\\000\\000\\000\\000\\004\\004\\012\\000\\002\\004\\014\\004\\000\\000\\002\\000\\010\\000\\002\\002\\000\\016\\000\\004\\014\\022\\000\\000\\002\\000\\016\\006\\004\\010\\002\\002\\006\\000\\000\\004\\016\\002\\002\\004\\000\\006\\000\\000\\000\\002\\000\\000\\002\\004\\000\\000\\000\\002\\004\\012\\000\\000\\000\\000\\004\\000\\004\\012\\000\\010\\004tRq\\002.
\.
--
-- Data for TOC entry 24 (OID 19047)
-- Name: ferro_quant; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY ferro_quant (compound, max_ded, elconc, atvol, has3d, has4d, has5d, isferromagnetic) FROM stdin;
AlFe3 2 1 1 1 0 0 1
Co2Nb 1 0 2 1 1 0 0
Co2Y 1 0 2 1 1 0 0
Co3Ir 1 2 1 1 0 1 1
Co3Ir7 1 2 1 1 0 1 0
Co3Pt 1 2 1 1 0 1 1
Co3Rh 1 2 1 1 1 0 1
Co4Os 1 2 0 1 0 1 1
Co4Rh 1 2 0 1 1 0 1
Co4Ru 1 2 0 1 1 0 1
CoHf 1 0 2 1 0 1 0
CoIr 1 1 1 1 0 1 0
CoOs 1 1 1 1 0 1 0
CoRu 1 1 1 1 1 0 0
CoSc 1 0 2 1 0 0 0
CoTi 1 0 1 1 0 0 0
CoTi2 1 0 2 1 0 0 0
CoV3 1 0 1 1 0 0 0
CoZr 1 0 2 1 1 0 0
Cr 2 0 1 1 0 0 0
Cr2Hf 2 0 2 1 0 1 0
Cr2Nb 2 0 2 1 1 0 0
Cr2Ta 2 0 2 1 0 1 0
Cr2Ti 2 0 2 1 0 0 0
Cr2Zr 2 0 2 1 1 0 0
Cr3Ir 2 0 1 1 0 1 0
Cr3Os 2 0 1 1 0 1 0
Cr3Pt 2 0 1 1 0 1 0
Cr3Rh 2 0 1 1 1 0 0
Cr3Ru 2 0 1 1 1 0 0
CrPt3 2 1 2 1 0 1 1
CrPt3 2 1 2 1 0 1 1
CrPt4 2 1 2 1 0 1 1
Fe 2 1 1 1 0 0 1
Fe13Pd7 2 1 1 1 1 0 1
Fe13Pt7 2 1 1 1 0 1 1
Fe16Rh 2 1 1 1 1 0 1
Fe32Pt 2 1 1 1 0 1 1
Fe3Pd 2 1 1 1 1 0 1
Fe3Pt 2 1 1 1 0 1 1
Fe3Pt17 2 1 2 1 0 1 1
Fe3Rh7 2 1 1 1 1 0 1
Fe9Pt 2 1 1 1 0 1 1
Fe9Rh 2 1 1 1 1 0 1
FeCo 2 2 0 1 0 0 1
FeNi3 2 2 0 1 0 0 1
FePd26 2 1 2 1 1 0 1
FePt 2 1 1 1 0 1 1
FePt3 2 1 1 1 0 1 1
FeRh 2 1 1 1 1 0 1
HfIr3 0 0 2 0 0 1 0
HfMo2 1 0 2 0 1 1 0
HfNi2 1 0 2 1 0 1 0
HfOs 1 0 2 0 0 1 0
HfPt 0 0 2 0 0 1 0
HfRh3 0 0 2 0 1 1 0
HfRu 1 0 2 0 1 1 0
HfTc 1 0 2 0 1 1 0
HfV2 1 0 2 1 0 1 0
HfW2 1 0 2 0 0 1 0
Ir 0 1 1 0 0 1 0
Ir2Sc 0 0 2 1 0 1 0
Ir2Y 0 0 2 0 1 1 0
Ir2Zr 0 0 2 0 1 1 0
Ir3Nb 1 0 2 0 1 1 0
Ir3Ta 0 0 2 0 0 1 0
Ir3Ti 0 0 1 1 0 1 0
Ir3V 1 1 1 1 0 1 0
IrNb3 1 0 2 0 1 1 0
IrSc 0 0 2 1 0 1 0
IrTi3 0 0 2 1 0 1 0
IrV3 1 0 1 1 0 1 0
IrY 0 0 2 0 1 1 0
IrZr 0 0 2 0 1 1 0
Mn 2 1 1 1 0 0 1
Mn2Pt3 2 1 2 1 0 1 1
Mn3Pt 2 1 1 1 0 1 1
MnNi 2 1 1 1 0 0 1
MnNi3 2 2 0 1 0 0 1
MnPd 2 1 2 1 1 0 1
MnPd3 2 1 1 1 1 0 1
MnPt 2 1 2 1 0 1 1
MnPt3 2 1 2 1 0 1 1
Mo 1 0 2 0 1 0 0
Nb 1 0 2 0 1 0 0
Ni 1 2 0 1 0 0 1
NiPd 1 2 1 1 1 0 1
NiPt 1 2 1 1 0 1 1
NiRh 1 2 1 1 1 0 0
Pd 0 1 2 0 1 0 0
Pt 0 1 2 0 0 1 0
Rh 0 1 1 0 1 0 0
Ta 0 0 2 0 0 1 0
V 1 0 1 1 0 0 0
W 1 0 2 0 0 1 0
\.
--
-- Data for TOC entry 25 (OID 19144)
-- Name: ferro_noquant; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY ferro_noquant (compound, elconc, atvol, has3d, has4d, has5d, max_ded, isferromagnetic) FROM stdin;
FeCo 0.734059888337 11.579436685 1 0 0 3.53454303741 1
Ni 0.917132325319 10.903552 1 0 0 1.89935600758 1
Fe 0.676821728076 11.8199515 1 0 0 3.53454303741 1
AlFe3 0.55352822994 12.1945 1 0 0 3.53454303741 1
Mn 0.592219012066 11.8199515 1 0 0 4.20857000351 1
FeNi3 0.847581242231 11.2083650825 1 0 0 3.53454303741 1
Fe3Pd 0.610901434436 13.9138648575 1 1 0 3.53454303741 1
HfV2 0.139474782705 33.458855975 1 0 1 2.28774404526 0
Pd 0.679533993934 14.71596725 0 1 0 0 0
FePt3 0.654602335855 14.5126277125 1 0 1 3.53454303741 1
CrPt3 0.619669341609 14.523874905 1 0 1 3.67481803894 1
Fe3Pt 0.655167614325 12.97377925 1 0 1 3.53454303741 1
Cr3Rh 0.528844066155 12.76368675 1 1 0 3.67481803894 1
Pt 0.66405154315 15.059072 0 0 1 0.708856999874 0
Cr3Ir 0.525127756509 12.8540148875 1 0 1 3.67481803894 0
V 0.363060641874 13.771804 1 0 0 2.28774404526 0
Cr3Ru 0.507626409314 12.80469235 1 1 0 3.67481803894 0
Co2Nb 0.295973106247 25.9032544 1 1 0 2.7561609745 0
CoTi2 0.223081584245 25.4017680833 1 0 0 2.7561609745 0
Cr3Os 0.506002525507 12.8457856875 1 0 1 3.67481803894 0
CoTi 0.483896935837 13.43261244 1 0 0 2.7561609745 0
Nb 0.278264741075 17.9685 0 1 0 2.32224798203 0
Cr3Pt 0.537319075144 13.027640975 1 0 1 3.67481803894 0
Cr2Nb 0.202560378073 27.9751979167 1 1 0 3.67481803894 0
Rh 0.656072313748 13.718 0 1 0 1.34492301941 0
IrTi3 0.334192112374 15.7095269625 1 0 1 1.65175902843 0
Ta 0.27575031592 18.1323455 0 0 1 1.56566202641 0
CoZr 0.398968508292 16.29201269 1 1 0 2.7561609745 0
Co2Y 0.223929923609 31.2597793417 1 1 0 2.7561609745 0
Cr2Ta 0.20160161711 28.1082401417 1 0 1 3.67481803894 0
Ir2Sc 0.211811319911 33.0482809083 1 0 1 1.65175902843 0
CoHf 0.410425114374 15.83723747 1 0 1 2.7561609745 0
Ir2Zr 0.220813826304 33.210480775 0 1 1 1.65175902843 0
Ir 0.635782877604 14.155776 0 0 1 1.65175902843 0
IrNb3 0.354710173223 16.9152182625 0 1 1 2.32224798203 0
IrV3 0.437299330113 13.7205789875 1 0 1 2.28774404526 0
IrZr 0.355888707002 18.264136715 0 1 1 1.65175902843 0
CoV3 0.469782020722 12.7718808625 1 0 0 2.7561609745 0
HfRh3 0.518200999109 14.9555867575 0 1 1 1.34492301941 0
HfIr3 0.512284018996 15.128326695 0 0 1 1.65175902843 0
HfTc 0.314593269655 17.4828915 0 1 1 2.99570298195 0
HfPt 0.415451631385 16.8491335 0 0 1 1.00957000256 0
Ir3Ti 0.545346664721 14.2111440325 1 0 1 1.65175902843 0
Cr 0.502346965021 11.943936 1 0 0 3.67481803894 0
HfNi2 0.291468422875 27.4472271167 1 0 1 1.89935600758 0
Mo 0.38392782157 15.6279375 0 1 0 2.92410993576 0
Cr2Zr 0.170400540374 31.2988052833 1 1 0 3.67481803894 0
Ir2Y 0.197054630259 35.5231439667 0 1 1 1.65175902843 0
Cr2Hf 0.175826907904 30.332862 1 0 1 3.67481803894 0
Ir3V 0.577685281306 13.8483708325 1 0 1 2.28774404526 0
HfMo2 0.14900548029 35.7928669667 0 1 1 2.92410993576 0
Cr2Ti 0.190316268905 28.023528225 1 0 0 3.67481803894 0
CoSc 0.385761868518 15.553636815 1 0 0 2.7561609745 0
W 0.380294459465 15.777248 0 0 1 2.13846206665 0
HfW2 0.146370867336 36.43712325 0 0 1 2.13846206665 0
IrY 0.305312436393 19.652 0 1 1 1.65175902843 0
Ir3Nb 0.542371383308 14.75004074 0 1 1 2.32224798203 0
Ir3Ta 0.545307648931 14.670617615 0 0 1 1.65175902843 0
HfRu 0.357760253062 16.771007815 0 1 1 1.89930105209 0
IrSc 0.364158701622 16.47633291 1 0 1 1.65175902843 0
HfOs 0.353141211025 16.99037046 0 0 1 2.19160604477 0
CoPt 0.711237553343 13.357 1 0 1 2.7561609745 1
MnNi 0.715485369808 11.88004725 1 0 0 4.20857000351 1
MnPd 0.57281499373 14.8389970462 1 1 0 4.20857000351 1
MnPt 0.579019073569 14.68 1 0 1 4.20857000351 1
NiPt 0.762940221016 13.1071868078 1 0 1 1.89935600758 1
CoPt3 0.693630451435 14.0564762977 1 0 1 2.7561609745 1
Cr3Pt 0.52048373619 13.4490273437 1 0 1 3.67481803894 1
CrPt3 0.619669341641 14.5238749043 1 0 1 3.67481803894 1
FePt 0.63528643082 14.1668380803 1 0 1 3.53454303741 1
Mn3Pt 0.550484678757 14.0785026343 1 0 1 4.20857000351 1
MnNi3 0.797682514859 11.5960922143 1 0 0 4.20857000351 1
MnPt3 0.627116911982 14.7500407392 1 0 1 4.20857000351 1
Cr4Pt 0.521967101489 13.027640977 1 0 1 3.67481803894 1
FeRh 0.636606657779 13.3520438345 1 1 0 3.53454303741 1
Co3Pt 0.749745284698 12.337523408 1 0 1 2.7561609745 1
Co4Os 0.773638394777 11.37482325 1 0 1 2.7561609745 1
Co4Ru 0.767173483555 11.470678 1 1 0 2.7561609745 1
CoRh 0.728289934974 12.35771575 1 1 0 2.7561609745 1
CrPt 0.529327190925 15.113525504 1 0 1 3.67481803894 1
CrPt4 0.631970074197 14.557651344 1 0 1 3.67481803894 1
Fe13Pd7 0.641773222364 13.5561904063 1 1 0 3.53454303741 1
Fe13Pt7 0.644834950054 13.4918245347 1 0 1 3.53454303741 1
Fe3Pt17 0.657625302294 14.7500407392 1 0 1 3.53454303741 1
Fe3Rh7 0.648586371291 13.4137878702 1 1 0 3.53454303741 1
FePd26 0.675906847437 14.6853460112 1 1 0 3.53454303741 1
Mn2Pt3 0.59614900293 14.761410246 1 0 1 4.20857000351 1
MnPd3 0.692173333021 13.3637046657 1 1 0 4.20857000351 1
NiPd 0.752482590563 13.289344 1 1 0 1.89935600758 1
NiRh 0.759710124228 12.5047695128 1 1 0 1.89935600758 0
Fe2Hf 0.46150987372 14.4453391927 1 0 1 3.53454303741 1
Fe2Zr 0.449503092939 14.8311919793 1 1 0 3.53454303741 1
Co3Ir 0.750380223096 11.9939195131 1 0 1 2.7561609745 1
Co3Ir7 0.744357269808 12.0909680943 1 0 1 2.7561609745 0
Co3Rh 0.750380223096 11.9939195131 1 1 0 2.7561609745 1
Co4Rh 0.772980027292 11.6432503845 1 1 0 2.7561609745 1
CoIr 0.720410936244 12.4928697598 1 0 1 2.7561609745 0
CoOs 0.680645456475 12.4881462429 1 0 1 2.7561609745 0
CoRu 0.697198731059 12.1916458269 1 1 0 2.7561609745 0
Fe16Rh 0.668851387723 12.0487505556 1 1 0 3.53454303741 1
Fe32Pt 0.672765581933 11.9812996935 1 0 1 3.53454303741 1
Fe9Pt 0.662584205604 12.3757854936 1 0 1 3.53454303741 1
Fe9Rh 0.664715105171 12.1856716313 1 1 0 3.53454303741 1
\.
--
-- Data for TOC entry 26 (OID 19249)
-- Name: ferro_noquant_realact; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY ferro_noquant_realact (compound, elconc, atvol, has3d, has4d, has5d, max_ded, isferromagnetic) FROM stdin;
FeCo 0.734059888337 11.579436685 1 0 0 3.53454303741 1.1
Ni 0.917132325319 10.903552 1 0 0 1.89935600758 1.1
Fe 0.676821728076 11.8199515 1 0 0 3.53454303741 1.1
AlFe3 0.55352822994 12.1945 1 0 0 3.53454303741 1.1
Mn 0.592219012066 11.8199515 1 0 0 4.20857000351 1.1
FeNi3 0.847581242231 11.2083650825 1 0 0 3.53454303741 1.1
Fe3Pd 0.610901434436 13.9138648575 1 1 0 3.53454303741 1.1
HfV2 0.139474782705 33.458855975 1 0 1 2.28774404526 0.1
Pd 0.679533993934 14.71596725 0 1 0 0 0.1
FePt3 0.654602335855 14.5126277125 1 0 1 3.53454303741 1.1
CrPt3 0.619669341609 14.523874905 1 0 1 3.67481803894 1.1
Fe3Pt 0.655167614325 12.97377925 1 0 1 3.53454303741 1.1
Cr3Rh 0.528844066155 12.76368675 1 1 0 3.67481803894 1.1
Pt 0.66405154315 15.059072 0 0 1 0.708856999874 0.1
Cr3Ir 0.525127756509 12.8540148875 1 0 1 3.67481803894 0.1
V 0.363060641874 13.771804 1 0 0 2.28774404526 0.1
Cr3Ru 0.507626409314 12.80469235 1 1 0 3.67481803894 0.1
Co2Nb 0.295973106247 25.9032544 1 1 0 2.7561609745 0.1
CoTi2 0.223081584245 25.4017680833 1 0 0 2.7561609745 0.1
Cr3Os 0.506002525507 12.8457856875 1 0 1 3.67481803894 0.1
CoTi 0.483896935837 13.43261244 1 0 0 2.7561609745 0.1
Nb 0.278264741075 17.9685 0 1 0 2.32224798203 0.1
Cr3Pt 0.537319075144 13.027640975 1 0 1 3.67481803894 0.1
Cr2Nb 0.202560378073 27.9751979167 1 1 0 3.67481803894 0.1
Rh 0.656072313748 13.718 0 1 0 1.34492301941 0.1
IrTi3 0.334192112374 15.7095269625 1 0 1 1.65175902843 0.1
Ta 0.27575031592 18.1323455 0 0 1 1.56566202641 0.1
CoZr 0.398968508292 16.29201269 1 1 0 2.7561609745 0.1
Co2Y 0.223929923609 31.2597793417 1 1 0 2.7561609745 0.1
Cr2Ta 0.20160161711 28.1082401417 1 0 1 3.67481803894 0.1
Ir2Sc 0.211811319911 33.0482809083 1 0 1 1.65175902843 0.1
CoHf 0.410425114374 15.83723747 1 0 1 2.7561609745 0.1
Ir2Zr 0.220813826304 33.210480775 0 1 1 1.65175902843 0.1
Ir 0.635782877604 14.155776 0 0 1 1.65175902843 0.1
IrNb3 0.354710173223 16.9152182625 0 1 1 2.32224798203 0.1
IrV3 0.437299330113 13.7205789875 1 0 1 2.28774404526 0.1
IrZr 0.355888707002 18.264136715 0 1 1 1.65175902843 0.1
CoV3 0.469782020722 12.7718808625 1 0 0 2.7561609745 0.1
HfRh3 0.518200999109 14.9555867575 0 1 1 1.34492301941 0.1
HfIr3 0.512284018996 15.128326695 0 0 1 1.65175902843 0.1
HfTc 0.314593269655 17.4828915 0 1 1 2.99570298195 0.1
HfPt 0.415451631385 16.8491335 0 0 1 1.00957000256 0.1
Ir3Ti 0.545346664721 14.2111440325 1 0 1 1.65175902843 0.1
Cr 0.502346965021 11.943936 1 0 0 3.67481803894 0.1
HfNi2 0.291468422875 27.4472271167 1 0 1 1.89935600758 0.1
Mo 0.38392782157 15.6279375 0 1 0 2.92410993576 0.1
Cr2Zr 0.170400540374 31.2988052833 1 1 0 3.67481803894 0.1
Ir2Y 0.197054630259 35.5231439667 0 1 1 1.65175902843 0.1
Cr2Hf 0.175826907904 30.332862 1 0 1 3.67481803894 0.1
Ir3V 0.577685281306 13.8483708325 1 0 1 2.28774404526 0.1
HfMo2 0.14900548029 35.7928669667 0 1 1 2.92410993576 0.1
Cr2Ti 0.190316268905 28.023528225 1 0 0 3.67481803894 0.1
CoSc 0.385761868518 15.553636815 1 0 0 2.7561609745 0.1
W 0.380294459465 15.777248 0 0 1 2.13846206665 0.1
HfW2 0.146370867336 36.43712325 0 0 1 2.13846206665 0.1
IrY 0.305312436393 19.652 0 1 1 1.65175902843 0.1
Ir3Nb 0.542371383308 14.75004074 0 1 1 2.32224798203 0.1
Ir3Ta 0.545307648931 14.670617615 0 0 1 1.65175902843 0.1
HfRu 0.357760253062 16.771007815 0 1 1 1.89930105209 0.1
IrSc 0.364158701622 16.47633291 1 0 1 1.65175902843 0.1
HfOs 0.353141211025 16.99037046 0 0 1 2.19160604477 0.1
CoPt 0.711237553343 13.357 1 0 1 2.7561609745 1.1
MnNi 0.715485369808 11.88004725 1 0 0 4.20857000351 1.1
MnPd 0.57281499373 14.8389970462 1 1 0 4.20857000351 1.1
MnPt 0.579019073569 14.68 1 0 1 4.20857000351 1.1
NiPt 0.762940221016 13.1071868078 1 0 1 1.89935600758 1.1
CoPt3 0.693630451435 14.0564762977 1 0 1 2.7561609745 1.1
Cr3Pt 0.52048373619 13.4490273437 1 0 1 3.67481803894 1.1
CrPt3 0.619669341641 14.5238749043 1 0 1 3.67481803894 1.1
FePt 0.63528643082 14.1668380803 1 0 1 3.53454303741 1.1
Mn3Pt 0.550484678757 14.0785026343 1 0 1 4.20857000351 1.1
MnNi3 0.797682514859 11.5960922143 1 0 0 4.20857000351 1.1
MnPt3 0.627116911982 14.7500407392 1 0 1 4.20857000351 1.1
Cr4Pt 0.521967101489 13.027640977 1 0 1 3.67481803894 1.1
FeRh 0.636606657779 13.3520438345 1 1 0 3.53454303741 1.1
Co3Pt 0.749745284698 12.337523408 1 0 1 2.7561609745 1.1
Co4Os 0.773638394777 11.37482325 1 0 1 2.7561609745 1.1
Co4Ru 0.767173483555 11.470678 1 1 0 2.7561609745 1.1
CoRh 0.728289934974 12.35771575 1 1 0 2.7561609745 1.1
CrPt 0.529327190925 15.113525504 1 0 1 3.67481803894 1.1
CrPt4 0.631970074197 14.557651344 1 0 1 3.67481803894 1.1
Fe13Pd7 0.641773222364 13.5561904063 1 1 0 3.53454303741 1.1
Fe13Pt7 0.644834950054 13.4918245347 1 0 1 3.53454303741 1.1
Fe3Pt17 0.657625302294 14.7500407392 1 0 1 3.53454303741 1.1
Fe3Rh7 0.648586371291 13.4137878702 1 1 0 3.53454303741 1.1
FePd26 0.675906847437 14.6853460112 1 1 0 3.53454303741 1.1
Mn2Pt3 0.59614900293 14.761410246 1 0 1 4.20857000351 1.1
MnPd3 0.692173333021 13.3637046657 1 1 0 4.20857000351 1.1
NiPd 0.752482590563 13.289344 1 1 0 1.89935600758 1.1
NiRh 0.759710124228 12.5047695128 1 1 0 1.89935600758 0.1
Fe2Hf 0.46150987372 14.4453391927 1 0 1 3.53454303741 1.1
Fe2Zr 0.449503092939 14.8311919793 1 1 0 3.53454303741 1.1
Co3Ir 0.750380223096 11.9939195131 1 0 1 2.7561609745 1.1
Co3Ir7 0.744357269808 12.0909680943 1 0 1 2.7561609745 0.1
Co3Rh 0.750380223096 11.9939195131 1 1 0 2.7561609745 1.1
Co4Rh 0.772980027292 11.6432503845 1 1 0 2.7561609745 1.1
CoIr 0.720410936244 12.4928697598 1 0 1 2.7561609745 0.1
CoOs 0.680645456475 12.4881462429 1 0 1 2.7561609745 0.1
CoRu 0.697198731059 12.1916458269 1 1 0 2.7561609745 0.1
Fe16Rh 0.668851387723 12.0487505556 1 1 0 3.53454303741 1.1
Fe32Pt 0.672765581933 11.9812996935 1 0 1 3.53454303741 1.1
Fe9Pt 0.662584205604 12.3757854936 1 0 1 3.53454303741 1.1
Fe9Rh 0.664715105171 12.1856716313 1 1 0 3.53454303741 1.1
\.
--
-- Data for TOC entry 27 (OID 19368)
-- Name: basic_2class; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY basic_2class (id, val, act) FROM stdin;
id-1 1 0
id-2 23 1
id-3 4 0
id-4 6 1
id-5 321 0
id-6 885 1
id-7 252 0
id-8 1351.1 1
id-9 3215 0
id-10 2585 1
id-11 55 0
id-12 12 1
\.
--
-- Data for TOC entry 28 (OID 19382)
-- Name: float_2class; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY float_2class (id, val, act) FROM stdin;
id-1 1 -0.1
id-2 23 1.2
id-3 4 0.5
id-4 6 1.01
id-5 321 0.7
id-6 885 2
id-7 252 0
id-8 1351.1 1.1
id-9 3215 -0.9
id-10 2585 1.3
id-11 55 0.9
id-12 12 3
\.
--
-- Data for TOC entry 29 (OID 58741)
-- Name: bit_ensemble_test; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY bit_ensemble_test (id, bit_1, bit_3, bit_4, act) FROM stdin;
foo 0 0 0 1
foo 1 1 0 1
foo 1 0 1 1
foo 1 0 1 1
\.
--
-- Data for TOC entry 30 (OID 160035)
-- Name: new_table; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY new_table (id, val1, val2) FROM stdin;
0 1 0
1 2 2
2 3 4
3 4 6
4 5 8
5 6 10
6 7 12
7 8 14
8 9 16
9 10 18
\.
--
-- Data for TOC entry 31 (OID 160047)
-- Name: fromtext; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY fromtext (int_col, floatcol, strcol) FROM stdin;
1 1 1
2 2.4 1
3 3 fiib
\.
--
-- Data for TOC entry 32 (OID 160052)
-- Name: fromtext2; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY fromtext2 (int_col, floatcol, strcol) FROM stdin;
1 1 1
2 2.4 1
3 3 fiib
4 \N foo
\.
--
-- Data for TOC entry 33 (OID 160058)
-- Name: storagetest; Type: TABLE DATA; Schema: public; Owner: sysdba
--
COPY storagetest (id, label, val) FROM stdin;
RDCmpd-000-001-1 label1 1
RDCmpd-000-002-2 label2 1
RDCmpd-000-010-1 label10 1
\.
--
-- TOC entry 18 (OID 18498)
-- Name: simple_mols_fps_pkey; Type: CONSTRAINT; Schema: public; Owner: sysdba
--
ALTER TABLE ONLY simple_mols_fps
ADD CONSTRAINT simple_mols_fps_pkey PRIMARY KEY (id);
--
-- TOC entry 19 (OID 160060)
-- Name: storagetest_pkey; Type: CONSTRAINT; Schema: public; Owner: sysdba
--
ALTER TABLE ONLY storagetest
ADD CONSTRAINT storagetest_pkey PRIMARY KEY (id);
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