diff --git a/Code/PgSQL/rdkit/expected/avalon.out b/Code/PgSQL/rdkit/expected/avalon.out index cddd19bec..304de5cc1 100644 --- a/Code/PgSQL/rdkit/expected/avalon.out +++ b/Code/PgSQL/rdkit/expected/avalon.out @@ -1,3 +1,4 @@ +SET extra_float_digits=0; select tanimoto_sml(avalon_fp('c1ccccc1'::mol),avalon_fp('c1ccccc1'::mol)); tanimoto_sml -------------- diff --git a/Code/PgSQL/rdkit/expected/bfpgist-91.out b/Code/PgSQL/rdkit/expected/bfpgist-91.out index 8daf5947e..06f3d7c3e 100644 --- a/Code/PgSQL/rdkit/expected/bfpgist-91.out +++ b/Code/PgSQL/rdkit/expected/bfpgist-91.out @@ -1,3 +1,4 @@ +SET extra_float_digits=0; CREATE INDEX fpidx ON pgbfp USING gist (f); CREATE INDEX maccsfpidx ON pgbfp USING gist (maccsf); SET rdkit.tanimoto_threshold = 0.5; diff --git a/Code/PgSQL/rdkit/expected/fps.out b/Code/PgSQL/rdkit/expected/fps.out index bc34f45aa..36f5a4cbe 100644 --- a/Code/PgSQL/rdkit/expected/fps.out +++ b/Code/PgSQL/rdkit/expected/fps.out @@ -1,3 +1,4 @@ +SET extra_float_digits=0; SELECT dice_sml(rdkit_fp('c1ccccc1'::mol),rdkit_fp('c1ccncc1'::mol)); dice_sml ------------------- diff --git a/Code/PgSQL/rdkit/expected/props.out b/Code/PgSQL/rdkit/expected/props.out index 74e09b682..8918848fb 100644 --- a/Code/PgSQL/rdkit/expected/props.out +++ b/Code/PgSQL/rdkit/expected/props.out @@ -1,3 +1,4 @@ +SET extra_float_digits=0; SELECT mol_amw('c1ccccc1'::mol) mol_amw; mol_amw --------- diff --git a/Code/PgSQL/rdkit/expected/rdkit-91.out b/Code/PgSQL/rdkit/expected/rdkit-91.out index 921c8c98c..14ddd6723 100644 --- a/Code/PgSQL/rdkit/expected/rdkit-91.out +++ b/Code/PgSQL/rdkit/expected/rdkit-91.out @@ -5,6 +5,7 @@ SET client_min_messages = warning; \set ECHO none RESET client_min_messages; +SET extra_float_digits=0; SELECT is_valid_smiles('c1ccccc1'); is_valid_smiles ----------------- diff --git a/Code/PgSQL/rdkit/expected/reaction.out b/Code/PgSQL/rdkit/expected/reaction.out index cf4cbf304..5e063d52e 100644 --- a/Code/PgSQL/rdkit/expected/reaction.out +++ b/Code/PgSQL/rdkit/expected/reaction.out @@ -1,3 +1,4 @@ +SET extra_float_digits=0; PREPARE dummy AS SELECT rdkit_version(); SET rdkit.ignore_reaction_agents=false; SET rdkit.agent_FP_bit_ratio=0.2; diff --git a/Code/PgSQL/rdkit/expected/sfpgist.out b/Code/PgSQL/rdkit/expected/sfpgist.out index 4ac26b3e8..b9503ac0e 100644 --- a/Code/PgSQL/rdkit/expected/sfpgist.out +++ b/Code/PgSQL/rdkit/expected/sfpgist.out @@ -1,3 +1,4 @@ +SET extra_float_digits=0; CREATE INDEX fpidx ON pgsfp USING gist (f); SET rdkit.tanimoto_threshold = 0.6; SET rdkit.dice_threshold = 0.6; diff --git a/Code/PgSQL/rdkit/expected/slfpgist.out b/Code/PgSQL/rdkit/expected/slfpgist.out index d13c565a8..e75329e57 100644 --- a/Code/PgSQL/rdkit/expected/slfpgist.out +++ b/Code/PgSQL/rdkit/expected/slfpgist.out @@ -1,3 +1,4 @@ +SET extra_float_digits=0; CREATE INDEX fpidx ON pgsfp USING gist (f gist_sfp_low_ops); SET rdkit.tanimoto_threshold = 0.6; SET rdkit.dice_threshold = 0.6; diff --git a/Code/PgSQL/rdkit/sql/avalon.sql b/Code/PgSQL/rdkit/sql/avalon.sql index f2ee2008c..02d3eab63 100644 --- a/Code/PgSQL/rdkit/sql/avalon.sql +++ b/Code/PgSQL/rdkit/sql/avalon.sql @@ -1,3 +1,4 @@ +SET extra_float_digits=0; select tanimoto_sml(avalon_fp('c1ccccc1'::mol),avalon_fp('c1ccccc1'::mol)); select tanimoto_sml(avalon_fp('c1ccccc1'::mol),avalon_fp('c1ccccc1'::mol,true)); select tanimoto_sml(avalon_fp('c1ccccc1'::mol),avalon_fp('c1ccccn1'::mol)); diff --git a/Code/PgSQL/rdkit/sql/bfpgist-91.sql b/Code/PgSQL/rdkit/sql/bfpgist-91.sql index 0b7030745..c20cf96cc 100644 --- a/Code/PgSQL/rdkit/sql/bfpgist-91.sql +++ b/Code/PgSQL/rdkit/sql/bfpgist-91.sql @@ -1,3 +1,4 @@ +SET extra_float_digits=0; CREATE INDEX fpidx ON pgbfp USING gist (f); CREATE INDEX maccsfpidx ON pgbfp USING gist (maccsf); diff --git a/Code/PgSQL/rdkit/sql/fps.sql b/Code/PgSQL/rdkit/sql/fps.sql index 901729497..7b55a3e5b 100644 --- a/Code/PgSQL/rdkit/sql/fps.sql +++ b/Code/PgSQL/rdkit/sql/fps.sql @@ -1,3 +1,4 @@ +SET extra_float_digits=0; SELECT dice_sml(rdkit_fp('c1ccccc1'::mol),rdkit_fp('c1ccncc1'::mol)); SELECT tversky_sml(rdkit_fp('c1ccccc1'::mol),rdkit_fp('c1ccncc1'::mol),0.5,0.5); SELECT tanimoto_sml(rdkit_fp('c1ccccc1'::mol),rdkit_fp('c1ccncc1'::mol)); diff --git a/Code/PgSQL/rdkit/sql/props.sql b/Code/PgSQL/rdkit/sql/props.sql index 5ea8825e5..50d67fbe4 100644 --- a/Code/PgSQL/rdkit/sql/props.sql +++ b/Code/PgSQL/rdkit/sql/props.sql @@ -1,3 +1,4 @@ +SET extra_float_digits=0; SELECT mol_amw('c1ccccc1'::mol) mol_amw; SELECT mol_logp('c1ccccc1'::mol) mol_logp; SELECT mol_hba('c1ccccc1'::mol) mol_hba; diff --git a/Code/PgSQL/rdkit/sql/rdkit-91.sql b/Code/PgSQL/rdkit/sql/rdkit-91.sql index cddc26162..f37930742 100644 --- a/Code/PgSQL/rdkit/sql/rdkit-91.sql +++ b/Code/PgSQL/rdkit/sql/rdkit-91.sql @@ -7,6 +7,7 @@ SET client_min_messages = warning; CREATE EXTENSION rdkit; \set ECHO all RESET client_min_messages; +SET extra_float_digits=0; SELECT is_valid_smiles('c1ccccc1'); SELECT mol_from_smiles('c1ccccc1'); diff --git a/Code/PgSQL/rdkit/sql/reaction.sql b/Code/PgSQL/rdkit/sql/reaction.sql index 294c45703..0d138a13e 100644 --- a/Code/PgSQL/rdkit/sql/reaction.sql +++ b/Code/PgSQL/rdkit/sql/reaction.sql @@ -1,3 +1,4 @@ +SET extra_float_digits=0; PREPARE dummy AS SELECT rdkit_version(); SET rdkit.ignore_reaction_agents=false; SET rdkit.agent_FP_bit_ratio=0.2; diff --git a/Code/PgSQL/rdkit/sql/sfpgist.sql b/Code/PgSQL/rdkit/sql/sfpgist.sql index 6b8394b66..20ef009bb 100644 --- a/Code/PgSQL/rdkit/sql/sfpgist.sql +++ b/Code/PgSQL/rdkit/sql/sfpgist.sql @@ -1,3 +1,4 @@ +SET extra_float_digits=0; CREATE INDEX fpidx ON pgsfp USING gist (f); SET rdkit.tanimoto_threshold = 0.6; diff --git a/Code/PgSQL/rdkit/sql/slfpgist.sql b/Code/PgSQL/rdkit/sql/slfpgist.sql index 2ef284c95..d2ca11d96 100644 --- a/Code/PgSQL/rdkit/sql/slfpgist.sql +++ b/Code/PgSQL/rdkit/sql/slfpgist.sql @@ -1,3 +1,4 @@ +SET extra_float_digits=0; CREATE INDEX fpidx ON pgsfp USING gist (f gist_sfp_low_ops); SET rdkit.tanimoto_threshold = 0.6;