[INFO] fetching crate sdfrust 0.6.0... [INFO] testing sdfrust-0.6.0 against try#dec9417b8611e34e787a3e4c37686b5131f9e5c5 for pr-154210-1 [INFO] extracting crate sdfrust 0.6.0 into /workspace/builds/worker-4-tc2/source [INFO] started tweaking crates.io crate sdfrust 0.6.0 [INFO] removed 0 missing examples [INFO] finished tweaking crates.io crate sdfrust 0.6.0 [INFO] tweaked toml for crates.io crate sdfrust 0.6.0 written to /workspace/builds/worker-4-tc2/source/Cargo.toml [INFO] validating manifest of crates.io crate sdfrust 0.6.0 on toolchain dec9417b8611e34e787a3e4c37686b5131f9e5c5 [INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+dec9417b8611e34e787a3e4c37686b5131f9e5c5" "metadata" "--manifest-path" "Cargo.toml" "--no-deps", kill_on_drop: false }` [INFO] crate crates.io crate sdfrust 0.6.0 already has a lockfile, it will not be regenerated [INFO] running `Command { std: CARGO_HOME="/workspace/cargo-home" RUSTUP_HOME="/workspace/rustup-home" "/workspace/cargo-home/bin/cargo" "+dec9417b8611e34e787a3e4c37686b5131f9e5c5" "fetch" "--manifest-path" "Cargo.toml", kill_on_drop: false }` [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-4-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-4-tc2/source:/opt/rustwide/workdir:ro,Z" "-v" "/var/lib/crater-agent-workspace/cargo-home:/opt/rustwide/cargo-home:ro,Z" "-v" "/var/lib/crater-agent-workspace/rustup-home:/opt/rustwide/rustup-home:ro,Z" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-w" "/opt/rustwide/workdir" "-m" "1610612736" "--user" "0:0" "--network" "none" "ghcr.io/rust-lang/crates-build-env/linux@sha256:d429b63d4308055ea97f60fb1d3dfca48854a00942f1bd2ad806beaf015945ec" "/opt/rustwide/cargo-home/bin/cargo" "+dec9417b8611e34e787a3e4c37686b5131f9e5c5" "metadata" "--no-deps" "--format-version=1", kill_on_drop: false }` [INFO] [stdout] 529605150fb4c08c1d976a2c81344df67340448e2209fbd434c0d8e21d787777 [INFO] running `Command { std: "docker" "start" "-a" "529605150fb4c08c1d976a2c81344df67340448e2209fbd434c0d8e21d787777", kill_on_drop: false }` [INFO] running `Command { std: "docker" "inspect" "529605150fb4c08c1d976a2c81344df67340448e2209fbd434c0d8e21d787777", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "529605150fb4c08c1d976a2c81344df67340448e2209fbd434c0d8e21d787777", kill_on_drop: false }` [INFO] [stdout] 529605150fb4c08c1d976a2c81344df67340448e2209fbd434c0d8e21d787777 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-4-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-4-tc2/source:/opt/rustwide/workdir:ro,Z" "-v" "/var/lib/crater-agent-workspace/cargo-home:/opt/rustwide/cargo-home:ro,Z" "-v" "/var/lib/crater-agent-workspace/rustup-home:/opt/rustwide/rustup-home:ro,Z" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_INCREMENTAL=0" "-e" "RUST_BACKTRACE=full" "-e" "RUSTFLAGS=--cap-lints=forbid" "-e" "RUSTDOCFLAGS=--cap-lints=forbid" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-w" "/opt/rustwide/workdir" "-m" "1610612736" "--user" "0:0" "--network" "none" "ghcr.io/rust-lang/crates-build-env/linux@sha256:d429b63d4308055ea97f60fb1d3dfca48854a00942f1bd2ad806beaf015945ec" "/opt/rustwide/cargo-home/bin/cargo" "+dec9417b8611e34e787a3e4c37686b5131f9e5c5" "build" "--frozen" "--message-format=json", kill_on_drop: false }` [INFO] [stdout] e31bbecef43c3a21c27b4f63530416904683af2fd2c72dc95a883c8ee8b0ef01 [INFO] running `Command { std: "docker" "start" "-a" "e31bbecef43c3a21c27b4f63530416904683af2fd2c72dc95a883c8ee8b0ef01", kill_on_drop: false }` [INFO] [stderr] Compiling syn v2.0.116 [INFO] [stderr] Compiling thiserror-impl v2.0.18 [INFO] [stderr] Compiling thiserror v2.0.18 [INFO] [stderr] Compiling sdfrust v0.6.0 (/opt/rustwide/workdir) [INFO] [stderr] Finished `dev` profile [unoptimized + debuginfo] target(s) in 6.43s [INFO] running `Command { std: "docker" "inspect" "e31bbecef43c3a21c27b4f63530416904683af2fd2c72dc95a883c8ee8b0ef01", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "e31bbecef43c3a21c27b4f63530416904683af2fd2c72dc95a883c8ee8b0ef01", kill_on_drop: false }` [INFO] [stdout] e31bbecef43c3a21c27b4f63530416904683af2fd2c72dc95a883c8ee8b0ef01 [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-4-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-4-tc2/source:/opt/rustwide/workdir:ro,Z" "-v" "/var/lib/crater-agent-workspace/cargo-home:/opt/rustwide/cargo-home:ro,Z" "-v" "/var/lib/crater-agent-workspace/rustup-home:/opt/rustwide/rustup-home:ro,Z" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_INCREMENTAL=0" "-e" "RUST_BACKTRACE=full" "-e" "RUSTFLAGS=--cap-lints=forbid" "-e" "RUSTDOCFLAGS=--cap-lints=forbid" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-w" "/opt/rustwide/workdir" "-m" "1610612736" "--user" "0:0" "--network" "none" "ghcr.io/rust-lang/crates-build-env/linux@sha256:d429b63d4308055ea97f60fb1d3dfca48854a00942f1bd2ad806beaf015945ec" "/opt/rustwide/cargo-home/bin/cargo" "+dec9417b8611e34e787a3e4c37686b5131f9e5c5" "test" "--frozen" "--no-run" "--message-format=json", kill_on_drop: false }` [INFO] [stdout] 498e4b6d8ecf85e7d51eaf69ffa55ae3cf31db6b1a7ccd2e465d91405c3f6aaa [INFO] running `Command { std: "docker" "start" "-a" "498e4b6d8ecf85e7d51eaf69ffa55ae3cf31db6b1a7ccd2e465d91405c3f6aaa", kill_on_drop: false }` [INFO] [stderr] Compiling syn v2.0.116 [INFO] [stderr] Compiling zerocopy v0.8.39 [INFO] [stderr] Compiling regex-syntax v0.8.9 [INFO] [stderr] Compiling getrandom v0.2.17 [INFO] [stderr] Compiling clap_builder v4.5.59 [INFO] [stderr] Compiling serde_json v1.0.149 [INFO] [stderr] Compiling is-terminal v0.4.17 [INFO] [stderr] Compiling rustix v1.1.3 [INFO] [stderr] Compiling rand_core v0.6.4 [INFO] [stderr] Compiling regex-automata v0.4.14 [INFO] [stderr] Compiling tempfile v3.25.0 [INFO] [stderr] Compiling clap v4.5.59 [INFO] [stderr] Compiling zerocopy-derive v0.8.39 [INFO] [stderr] Compiling serde_derive v1.0.228 [INFO] [stderr] Compiling thiserror-impl v2.0.18 [INFO] [stderr] Compiling regex v1.12.3 [INFO] [stderr] Compiling thiserror v2.0.18 [INFO] [stderr] Compiling sdfrust v0.6.0 (/opt/rustwide/workdir) [INFO] [stderr] Compiling serde v1.0.228 [INFO] [stderr] Compiling tinytemplate v1.2.1 [INFO] [stderr] Compiling half v2.7.1 [INFO] [stderr] Compiling ppv-lite86 v0.2.21 [INFO] [stderr] Compiling ciborium-ll v0.2.2 [INFO] [stderr] Compiling rand_chacha v0.3.1 [INFO] [stderr] Compiling ciborium v0.2.2 [INFO] [stderr] Compiling rand v0.8.5 [INFO] [stderr] Compiling criterion v0.5.1 [INFO] [stderr] Finished `test` profile [unoptimized + debuginfo] target(s) in 31.84s [INFO] running `Command { std: "docker" "inspect" "498e4b6d8ecf85e7d51eaf69ffa55ae3cf31db6b1a7ccd2e465d91405c3f6aaa", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "498e4b6d8ecf85e7d51eaf69ffa55ae3cf31db6b1a7ccd2e465d91405c3f6aaa", kill_on_drop: false }` [INFO] [stdout] 498e4b6d8ecf85e7d51eaf69ffa55ae3cf31db6b1a7ccd2e465d91405c3f6aaa [INFO] running `Command { std: "docker" "create" "-v" "/var/lib/crater-agent-workspace/builds/worker-4-tc2/target:/opt/rustwide/target:rw,Z" "-v" "/var/lib/crater-agent-workspace/builds/worker-4-tc2/source:/opt/rustwide/workdir:ro,Z" "-v" "/var/lib/crater-agent-workspace/cargo-home:/opt/rustwide/cargo-home:ro,Z" "-v" "/var/lib/crater-agent-workspace/rustup-home:/opt/rustwide/rustup-home:ro,Z" "-e" "SOURCE_DIR=/opt/rustwide/workdir" "-e" "CARGO_TARGET_DIR=/opt/rustwide/target" "-e" "CARGO_INCREMENTAL=0" "-e" "RUST_BACKTRACE=full" "-e" "RUSTFLAGS=--cap-lints=forbid" "-e" "RUSTDOCFLAGS=--cap-lints=forbid" "-e" "CARGO_HOME=/opt/rustwide/cargo-home" "-e" "RUSTUP_HOME=/opt/rustwide/rustup-home" "-w" "/opt/rustwide/workdir" "-m" "1610612736" "--user" "0:0" "--network" "none" "ghcr.io/rust-lang/crates-build-env/linux@sha256:d429b63d4308055ea97f60fb1d3dfca48854a00942f1bd2ad806beaf015945ec" "/opt/rustwide/cargo-home/bin/cargo" "+dec9417b8611e34e787a3e4c37686b5131f9e5c5" "test" "--frozen", kill_on_drop: false }` [INFO] [stdout] affca42e43941fb4c3bc73e38c2b58de8510f33efa2cd010e1610f36d6ee60e7 [INFO] running `Command { std: "docker" "start" "-a" "affca42e43941fb4c3bc73e38c2b58de8510f33efa2cd010e1610f36d6ee60e7", kill_on_drop: false }` [INFO] [stderr] Finished `test` profile [unoptimized + debuginfo] target(s) in 0.15s [INFO] [stderr] Running unittests src/lib.rs (/opt/rustwide/target/debug/deps/sdfrust-2cfb7e5dc1e16370) [INFO] [stdout] [INFO] [stdout] running 195 tests [INFO] [stdout] test descriptors::aromaticity::tests::test_all_aromatic_atoms_benzene ... ok [INFO] [stdout] test descriptors::aromaticity::tests::test_empty_molecule ... ok [INFO] [stdout] test descriptors::aromaticity::tests::test_cyclopentane_not_aromatic ... ok [INFO] [stdout] test descriptors::aromaticity::tests::test_benzene_aromatic_bonds ... ok [INFO] [stdout] test descriptors::aromaticity::tests::test_pyrrole ... ok [INFO] [stdout] test descriptors::aromaticity::tests::test_all_aromatic_bonds_benzene ... ok [INFO] [stdout] test descriptors::aromaticity::tests::test_furan ... ok [INFO] [stdout] test descriptors::aromaticity::tests::test_ethane_not_aromatic ... ok [INFO] [stdout] test descriptors::aromaticity::tests::test_is_aromatic_bond ... ok [INFO] [stdout] test descriptors::aromaticity::tests::test_benzene_kekulized_perception ... ok [INFO] [stdout] test descriptors::aromaticity::tests::test_saturated_ring_not_aromatic ... ok [INFO] [stdout] test descriptors::bond_inference::tests::test_infer_bonds_distant_atoms ... ok [INFO] [stdout] test descriptors::bond_inference::tests::test_infer_bonds_clears_existing ... ok [INFO] [stdout] test descriptors::bond_inference::tests::test_infer_bonds_keep_existing ... ok [INFO] [stdout] test descriptors::bond_inference::tests::test_infer_bonds_single_atom ... ok [INFO] [stdout] test descriptors::bond_inference::tests::test_infer_bonds_unknown_element ... ok [INFO] [stdout] test descriptors::bond_inference::tests::test_infer_bonds_water ... ok [INFO] [stdout] test descriptors::chirality::tests::test_achiral_methane ... ok [INFO] [stdout] test descriptors::bond_inference::tests::test_infer_bonds_empty_molecule ... ok [INFO] [stdout] test descriptors::chirality::tests::test_all_chiralities_length ... ok [INFO] [stdout] test descriptors::chirality::tests::test_2d_down_bond_stereocenter ... ok [INFO] [stdout] test descriptors::chirality::tests::test_aspirin_no_stereocenters ... ok [INFO] [stdout] test descriptors::chirality::tests::test_caffeine_no_stereocenters ... ok [INFO] [stdout] test descriptors::chirality::tests::test_chiral_3d_cw_ccw_differ ... ok [INFO] [stdout] test descriptors::bond_inference::tests::test_infer_bonds_tolerance_effect ... ok [INFO] [stdout] test descriptors::chirality::tests::test_glucose_multiple_stereocenters ... ok [INFO] [stdout] test descriptors::chirality::tests::test_methionine_has_stereocenter ... ok [INFO] [stdout] test descriptors::conjugation::tests::test_empty ... ok [INFO] [stdout] test descriptors::conjugation::tests::test_isolated_double_bond ... ok [INFO] [stdout] test descriptors::conjugation::tests::test_ethane_not_conjugated ... ok [INFO] [stdout] test descriptors::chirality::tests::test_cip_double_bond_phantom ... ok [INFO] [stdout] test descriptors::conjugation::tests::test_is_conjugated_bond ... ok [INFO] [stdout] test descriptors::chirality::tests::test_nitrogen_not_stereocenter ... ok [INFO] [stdout] test descriptors::chirality::tests::test_2d_with_wedge ... ok [INFO] [stdout] test descriptors::chirality::tests::test_sp2_not_stereocenter ... ok [INFO] [stdout] test descriptors::conjugation::tests::test_benzene_conjugated ... ok [INFO] [stdout] test descriptors::elements::tests::test_common_organic_elements ... ok [INFO] [stdout] test descriptors::elements::tests::test_covalent_radius_carbon ... ok [INFO] [stdout] test descriptors::elements::tests::test_covalent_radius_case_insensitive ... ok [INFO] [stdout] test descriptors::elements::tests::test_common_metals ... ok [INFO] [stdout] test descriptors::chirality::tests::test_symmetric_substituents_not_stereocenter ... ok [INFO] [stdout] test descriptors::elements::tests::test_covalent_radius_hydrogen ... ok [INFO] [stdout] test descriptors::elements::tests::test_covalent_radius_unknown ... ok [INFO] [stdout] test descriptors::conjugation::tests::test_butadiene ... ok [INFO] [stdout] test descriptors::chirality::tests::test_ogb_index ... ok [INFO] [stdout] test descriptors::chirality::tests::test_chiral_3d_r ... ok [INFO] [stdout] test descriptors::chirality::tests::test_empty_molecule ... ok [INFO] [stdout] test descriptors::elements::tests::test_atomic_weight ... ok [INFO] [stdout] test descriptors::elements::tests::test_deuterium_tritium ... ok [INFO] [stdout] test descriptors::elements::tests::test_get_element_hydrogen ... ok [INFO] [stdout] test descriptors::elements::tests::test_monoisotopic_mass ... ok [INFO] [stdout] test descriptors::gasteiger::tests::test_charge_conservation ... ok [INFO] [stdout] test descriptors::chirality::tests::test_2d_no_wedge_unspecified ... ok [INFO] [stdout] test descriptors::elements::tests::test_get_element_unknown ... ok [INFO] [stdout] test descriptors::gasteiger::tests::test_methane_charges ... ok [INFO] [stdout] test descriptors::gasteiger::tests::test_electronegativity_order ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_all_hybridizations ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_isolated_atom ... ok [INFO] [stdout] test descriptors::gasteiger::tests::test_water_charges ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_ogb_index ... ok [INFO] [stdout] test descriptors::gasteiger::tests::test_empty_molecule ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_out_of_bounds ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_lone_pair_upgrade_ester ... ok [INFO] [stdout] test descriptors::elements::tests::test_get_element_carbon ... ok [INFO] [stdout] test descriptors::gasteiger::tests::test_single_atom ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_sp2_aromatic ... ok [INFO] [stdout] test descriptors::elements::tests::test_get_element_case_insensitive ... ok [INFO] [stdout] test descriptors::molecular::tests::test_bond_type_counts_mixed ... ok [INFO] [stdout] test descriptors::gasteiger::tests::test_custom_params ... ok [INFO] [stdout] test descriptors::molecular::tests::test_exact_mass_water ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_sp2_ethylene ... ok [INFO] [stdout] test descriptors::gasteiger::tests::test_hf_charges ... ok [INFO] [stdout] test descriptors::molecular::tests::test_heavy_atom_count_all_heavy ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_sp3_methane ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_sp3d2_sulfur ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_sp3d_phosphorus ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_sp_acetylene ... ok [INFO] [stdout] test descriptors::molecular::tests::test_bond_type_counts_empty ... ok [INFO] [stdout] test descriptors::molecular::tests::test_heavy_atom_count_methane ... ok [INFO] [stdout] test descriptors::molecular::tests::test_bond_type_counts_water ... ok [INFO] [stdout] test descriptors::molecular::tests::test_molecular_weight_water ... ok [INFO] [stdout] test descriptors::molecular::tests::test_exact_mass_methane ... ok [INFO] [stdout] test descriptors::molecular::tests::test_molecular_weight_unknown_element ... ok [INFO] [stdout] test descriptors::molecular::tests::test_is_hydrogen ... ok [INFO] [stdout] test descriptors::rings::tests::test_is_in_ring_of_size ... ok [INFO] [stdout] test descriptors::molecular::tests::test_heavy_atom_count_empty ... ok [INFO] [stdout] test descriptors::rings::tests::test_ring_contains_atom ... ok [INFO] [stdout] test descriptors::rings::tests::test_smallest_ring_size ... ok [INFO] [stdout] test descriptors::hybridization::tests::test_water_stays_sp3 ... ok [INFO] [stdout] test descriptors::molecular::tests::test_molecular_weight_empty ... ok [INFO] [stdout] test descriptors::molecular::tests::test_heavy_atom_count_water ... ok [INFO] [stdout] test descriptors::rings::tests::test_smallest_ring_size_acyclic ... ok [INFO] [stdout] test descriptors::molecular::tests::test_molecular_weight_methane ... ok [INFO] [stdout] test descriptors::rings::tests::test_sssr_naphthalene ... ok [INFO] [stdout] test descriptors::rings::tests::test_sssr_propane ... ok [INFO] [stdout] test descriptors::rings::tests::test_sssr_empty ... ok [INFO] [stdout] test descriptors::topological::tests::test_connected_components_empty ... ok [INFO] [stdout] test descriptors::rings::tests::test_sssr_benzene ... ok [INFO] [stdout] test descriptors::rings::tests::test_ring_contains_bond ... ok [INFO] [stdout] test descriptors::rings::tests::test_sssr_cyclopentane ... ok [INFO] [stdout] test descriptors::topological::tests::test_connected_components_multiple ... ok [INFO] [stdout] test descriptors::topological::tests::test_connected_components_single ... ok [INFO] [stdout] test descriptors::rings::tests::test_ring_sizes_benzene ... ok [INFO] [stdout] test descriptors::topological::tests::test_ring_atoms_benzene ... ok [INFO] [stdout] test descriptors::topological::tests::test_ring_atoms_propane ... ok [INFO] [stdout] test descriptors::topological::tests::test_rotatable_bond_count_ethane_skeleton ... ok [INFO] [stdout] test descriptors::valence::tests::test_all_atom_degrees ... ok [INFO] [stdout] test descriptors::topological::tests::test_ring_bonds_benzene ... ok [INFO] [stdout] test descriptors::topological::tests::test_ring_bonds_propane ... ok [INFO] [stdout] test descriptors::topological::tests::test_ring_count_benzene ... ok [INFO] [stdout] test descriptors::topological::tests::test_ring_count_naphthalene ... ok [INFO] [stdout] test descriptors::rings::tests::test_cubane_rings ... ok [INFO] [stdout] test descriptors::topological::tests::test_ring_count_empty ... ok [INFO] [stdout] test descriptors::topological::tests::test_rotatable_bond_count_propane ... ok [INFO] [stdout] test descriptors::topological::tests::test_ring_count_propane ... ok [INFO] [stdout] test descriptors::topological::tests::test_ring_count_single_atom ... ok [INFO] [stdout] test descriptors::topological::tests::test_rotatable_bond_count_empty ... ok [INFO] [stdout] test descriptors::valence::tests::test_all_implicit_h ... ok [INFO] [stdout] test descriptors::valence::tests::test_atom_degree ... ok [INFO] [stdout] test descriptors::valence::tests::test_bond_order_sum_double ... ok [INFO] [stdout] test descriptors::valence::tests::test_default_valence_unknown ... ok [INFO] [stdout] test descriptors::valence::tests::test_implicit_h_charged_nitrogen ... ok [INFO] [stdout] test descriptors::valence::tests::test_implicit_h_formaldehyde ... ok [INFO] [stdout] test descriptors::valence::tests::test_implicit_h_methanol_skeleton ... ok [INFO] [stdout] test descriptors::valence::tests::test_sdf_hydrogen_count_field ... ok [INFO] [stdout] test descriptors::valence::tests::test_total_h_methane_partial ... ok [INFO] [stdout] test featurize::ogb::tests::test_atom_features_9_elements ... ok [INFO] [stdout] test featurize::ogb::tests::test_atom_features_aromatic ... ok [INFO] [stdout] test featurize::ogb::tests::test_bond_features_water ... ok [INFO] [stdout] test featurize::ogb::tests::test_bond_features_benzene ... ok [INFO] [stdout] test descriptors::valence::tests::test_implicit_h_aromatic ... ok [INFO] [stdout] test featurize::ogb::tests::test_atom_features_water ... ok [INFO] [stdout] test featurize::ogb::tests::test_formal_charge_encoding ... ok [INFO] [stdout] test featurize::ogb::tests::test_empty_molecule ... ok [INFO] [stdout] test featurize::ogb::tests::test_hybridization_in_features ... ok [INFO] [stdout] test featurize::ogb::tests::test_graph_features ... ok [INFO] [stdout] test fingerprints::ecfp::tests::test_ecfp_empty ... ok [INFO] [stdout] test fingerprints::ecfp::tests::test_ecfp_basic ... ok [INFO] [stdout] test descriptors::valence::tests::test_bond_order_sum_single ... ok [INFO] [stdout] test fingerprints::ecfp::tests::test_ecfp_different_molecules ... ok [INFO] [stdout] test fingerprints::ecfp::tests::test_ecfp_deterministic ... ok [INFO] [stdout] test descriptors::topological::tests::test_rotatable_bond_count_benzene ... ok [INFO] [stdout] test descriptors::valence::tests::test_implicit_h_nitrogen ... ok [INFO] [stdout] test fingerprints::ecfp::tests::test_ecfp_counts ... ok [INFO] [stdout] test fingerprints::ecfp::tests::test_higher_radius_more_bits ... ok [INFO] [stdout] test fingerprints::ecfp::tests::test_tanimoto_empty ... ok [INFO] [stdout] test fingerprints::ecfp::tests::test_ecfp_radius_zero ... ok [INFO] [stdout] test graph::tests::test_bond_indices ... ok [INFO] [stdout] test graph::tests::test_is_hydrogen ... ok [INFO] [stdout] test fingerprints::ecfp::tests::test_tanimoto_self ... ok [INFO] [stdout] test fingerprints::ecfp::tests::test_ecfp_same_molecule ... ok [INFO] [stdout] test graph::tests::test_adjacency_list_benzene ... ok [INFO] [stdout] test graph::tests::test_adjacency_list_empty ... ok [INFO] [stdout] test graph::tests::test_out_of_bounds ... ok [INFO] [stdout] test graph::tests::test_adjacency_list_methane ... ok [INFO] [stdout] test graph::tests::test_neighbor_atoms ... ok [INFO] [stdout] test molecule::tests::test_needs_v3000_basic ... ok [INFO] [stdout] test molecule::tests::test_needs_v3000_coordination_bond ... ok [INFO] [stdout] test molecule::tests::test_needs_v3000_stereogroups ... ok [INFO] [stdout] test fingerprints::ecfp::tests::test_on_bits ... ok [INFO] [stdout] test parser::mol2::tests::test_parse_mol2_aromatic ... ok [INFO] [stdout] test parser::mol2::tests::test_parse_mol2_atoms ... ok [INFO] [stdout] test parser::mol2::tests::test_parse_mol2_with_charges ... ok [INFO] [stdout] test parser::sdf::tests::test_multi_molecule_parsing ... ok [INFO] [stdout] test parser::sdf_v3000::tests::test_parse_v3000_aromatic ... ok [INFO] [stdout] test parser::xyz::tests::test_empty_file ... ok [INFO] [stdout] test parser::xyz::tests::test_blank_lines_between_molecules ... ok [INFO] [stdout] test parser::xyz::tests::test_invalid_atom_count ... ok [INFO] [stdout] test parser::xyz::tests::test_extra_columns_ignored ... ok [INFO] [stdout] test parser::sdf::tests::test_parse_simple_molecule ... ok [INFO] [stdout] test parser::xyz::tests::test_iterator ... ok [INFO] [stdout] test parser::xyz::tests::test_normalize_element_case ... ok [INFO] [stdout] test parser::xyz::tests::test_parse_methane ... ok [INFO] [stdout] test parser::sdf::tests::test_parse_with_properties ... ok [INFO] [stdout] test parser::xyz::tests::test_parse_water ... ok [INFO] [stdout] test parser::mol2::tests::test_parse_simple_mol2 ... ok [INFO] [stdout] test parser::sdf_v3000::tests::test_parse_v3000_methane ... ok [INFO] [stdout] test parser::mol2::tests::test_parse_multi_mol2 ... ok [INFO] [stdout] test writer::mol2::tests::test_round_trip ... ok [INFO] [stdout] test writer::mol2::tests::test_write_multi ... ok [INFO] [stdout] test writer::mol2::tests::test_write_aromatic_bonds ... ok [INFO] [stdout] test writer::mol2::tests::test_write_simple_molecule ... ok [INFO] [stdout] test writer::sdf::tests::test_round_trip ... ok [INFO] [stdout] test parser::sdf_v3000::tests::test_parse_v3000_with_charge ... ok [INFO] [stdout] test parser::xyz::tests::test_invalid_coordinate ... ok [INFO] [stdout] test parser::xyz::tests::test_parse_multi ... ok [INFO] [stdout] test parser::xyz::tests::test_fewer_atoms_than_declared ... ok [INFO] [stdout] test parser::mol2::tests::test_parse_mol2_bonds ... ok [INFO] [stdout] test writer::mol2::tests::test_bond_type_conversion ... ok [INFO] [stdout] test parser::xyz::tests::test_parse_atomic_numbers ... ok [INFO] [stdout] test writer::sdf_v3000::tests::test_needs_v3000 ... ok [INFO] [stdout] test writer::sdf_v3000::tests::test_v3000_round_trip ... ok [INFO] [stdout] test writer::sdf_v3000::tests::test_write_sdf_auto ... ok [INFO] [stdout] test writer::sdf_v3000::tests::test_write_v3000_simple ... ok [INFO] [stdout] test writer::sdf_v3000::tests::test_write_v3000_with_charge ... ok [INFO] [stdout] [INFO] [stdout] test result: ok. 195 passed; 0 failed; 0 ignored; 0 measured; 0 filtered out; finished in 0.04s [INFO] [stdout] [INFO] [stderr] Doc-tests sdfrust [INFO] [stdout] [INFO] [stdout] running 66 tests [INFO] [stdout] test src/descriptors/chirality.rs - descriptors::chirality::atom_chirality (line 436) ... ok [INFO] [stdout] test src/descriptors/bond_inference.rs - descriptors::bond_inference::Molecule::infer_bonds (line 160) ... ok [INFO] [stdout] test src/descriptors/elements.rs - descriptors::elements::monoisotopic_mass (line 273) ... ok [INFO] [stdout] test src/descriptors/conjugation.rs - descriptors::conjugation::is_conjugated_bond (line 45) ... ok [INFO] [stdout] test src/descriptors/gasteiger.rs - descriptors::gasteiger (line 10) ... ok [INFO] [stdout] test src/descriptors/elements.rs - descriptors::elements::get_element (line 238) ... ok [INFO] [stdout] test src/descriptors/hybridization.rs - descriptors::hybridization (line 9) ... ok [INFO] [stdout] test src/descriptors/elements.rs - descriptors::elements::atomic_weight (line 257) ... ok [INFO] [stdout] test src/descriptors/hybridization.rs - descriptors::hybridization::all_hybridizations (line 147) ... ok [INFO] [stdout] test src/descriptors/hybridization.rs - descriptors::hybridization::atom_hybridization (line 71) ... ok [INFO] [stdout] test src/descriptors/mod.rs - descriptors (line 10) ... ok [INFO] [stdout] test src/descriptors/molecular.rs - descriptors::molecular::heavy_atom_count (line 76) ... ok [INFO] [stdout] test src/descriptors/molecular.rs - descriptors::molecular::bond_type_counts (line 99) ... ok [INFO] [stdout] test src/descriptors/molecular.rs - descriptors::molecular::exact_mass (line 47) ... ok [INFO] [stdout] test src/descriptors/molecular.rs - descriptors::molecular::molecular_weight (line 20) ... ok [INFO] [stdout] test src/descriptors/rings.rs - descriptors::rings (line 9) ... ok [INFO] [stdout] test src/descriptors/rings.rs - descriptors::rings::sssr (line 64) ... ok [INFO] [stdout] test src/descriptors/aromaticity.rs - descriptors::aromaticity (line 11) ... ok [INFO] [stdout] test src/descriptors/rings.rs - descriptors::rings::ring_sizes (line 486) ... ok [INFO] [stdout] test src/descriptors/topological.rs - descriptors::topological::ring_count (line 16) ... ok [INFO] [stdout] test src/descriptors/valence.rs - descriptors::valence::total_hydrogen_count (line 202) ... ok [INFO] [stdout] test src/descriptors/valence.rs - descriptors::valence::atom_degree (line 116) ... ok [INFO] [stdout] test src/descriptors/topological.rs - descriptors::topological::ring_atoms (line 53) ... ok [INFO] [stdout] test src/descriptors/valence.rs - descriptors::valence::implicit_hydrogen_count (line 162) ... ok [INFO] [stdout] test src/descriptors/valence.rs - descriptors::valence (line 9) ... ok [INFO] [stdout] test src/featurize/ogb.rs - featurize::ogb (line 30) ... ok [INFO] [stdout] test src/featurize/ogb.rs - featurize::ogb::ogb_atom_features (line 97) ... ok [INFO] [stdout] test src/descriptors/topological.rs - descriptors::topological::ring_bonds (line 79) ... ok [INFO] [stdout] test src/featurize/ogb.rs - featurize::ogb::ogb_bond_features (line 170) ... ok [INFO] [stdout] test src/fingerprints/ecfp.rs - fingerprints::ecfp (line 12) ... ok [INFO] [stdout] test src/fingerprints/ecfp.rs - fingerprints::ecfp::ecfp (line 118) ... ok [INFO] [stdout] test src/lib.rs - (line 161) ... ignored [INFO] [stdout] test src/lib.rs - (line 128) ... ok [INFO] [stdout] test src/featurize/ogb.rs - featurize::ogb::ogb_graph_features (line 246) ... ok [INFO] [stdout] test src/graph.rs - graph::AdjacencyList::from_molecule (line 47) ... ok [INFO] [stdout] test src/lib.rs - (line 186) ... ok [INFO] [stdout] test src/lib.rs - (line 100) ... ok [INFO] [stdout] test src/graph.rs - graph (line 8) ... ok [INFO] [stdout] test src/lib.rs - (line 217) ... ok [INFO] [stdout] test src/lib.rs - (line 229) ... ok [INFO] [stdout] test src/lib.rs - (line 23) ... ignored [INFO] [stdout] test src/lib.rs - (line 337) ... ignored [INFO] [stdout] test src/lib.rs - (line 34) ... ignored [INFO] [stdout] test src/lib.rs - (line 45) ... ignored [INFO] [stdout] test src/lib.rs - (line 378) ... ok [INFO] [stdout] test src/lib.rs - (line 56) ... ok [INFO] [stdout] test src/lib.rs - (line 270) ... ok [INFO] [stdout] test src/lib.rs - (line 303) ... ok [INFO] [stdout] test src/parser/sdf.rs - parser::sdf::iter_auto_file (line 942) ... ignored [INFO] [stdout] test src/parser/sdf.rs - parser::sdf::parse_auto_file (line 825) ... ignored [INFO] [stdout] test src/parser/sdf.rs - parser::sdf::parse_auto_string (line 787) ... ignored [INFO] [stdout] test src/descriptors/topological.rs - descriptors::topological::rotatable_bond_count (line 116) ... ok [INFO] [stdout] test src/lib.rs - (line 248) ... ok [INFO] [stdout] test src/molecule.rs - molecule::Molecule::molecular_weight (line 312) ... ok [INFO] [stdout] test src/lib.rs - (line 284) ... ok [INFO] [stdout] test src/parser/sdf.rs - parser::sdf::detect_format (line 725) ... ok [INFO] [stdout] test src/lib.rs - (line 84) ... ok [INFO] [stdout] test src/descriptors/bond_inference.rs - descriptors::bond_inference::infer_bonds (line 73) ... ok [INFO] [stdout] test src/descriptors/gasteiger.rs - descriptors::gasteiger::gasteiger_charges (line 212) ... ok [INFO] [stdout] test src/descriptors/chirality.rs - descriptors::chirality (line 9) ... ok [INFO] [stdout] test src/descriptors/bond_inference.rs - descriptors::bond_inference (line 13) ... ok [INFO] [stdout] test src/descriptors/conjugation.rs - descriptors::conjugation (line 12) ... ok [INFO] [stdout] test src/descriptors/conjugation.rs - descriptors::conjugation::all_conjugated_bonds (line 141) ... ok [INFO] [stdout] test src/descriptors/aromaticity.rs - descriptors::aromaticity::is_aromatic_atom (line 205) ... ok [INFO] [stdout] test src/descriptors/chirality.rs - descriptors::chirality::all_chiralities (line 467) ... ok [INFO] [stdout] test src/descriptors/elements.rs - descriptors::elements::covalent_radius (line 290) ... ok [INFO] [stdout] [INFO] [stdout] test result: ok. 58 passed; 0 failed; 8 ignored; 0 measured; 0 filtered out; finished in 0.18s [INFO] [stdout] [INFO] [stdout] all doctests ran in 0.96s; merged doctests compilation took 0.77s [INFO] running `Command { std: "docker" "inspect" "affca42e43941fb4c3bc73e38c2b58de8510f33efa2cd010e1610f36d6ee60e7", kill_on_drop: false }` [INFO] running `Command { std: "docker" "rm" "-f" "affca42e43941fb4c3bc73e38c2b58de8510f33efa2cd010e1610f36d6ee60e7", kill_on_drop: false }` [INFO] [stdout] affca42e43941fb4c3bc73e38c2b58de8510f33efa2cd010e1610f36d6ee60e7