fastpdb - pypi Package Compare versions

Comparing version 1.3.2 to 1.3.3

Cargo.lock

@@ -19,3 +19,3 @@ # This file is automatically @generated by Cargo.
 name = "fastpdb"
-version = "1.3.2"
+version = "1.3.3"
 dependencies = [
@@ -41,11 +41,11 @@ "ndarray",
 name = "libc"
-version = "0.2.171"
+version = "0.2.172"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "c19937216e9d3aa9956d9bb8dfc0b0c8beb6058fc4f7a4dc4d850edf86a237d6"
+checksum = "d750af042f7ef4f724306de029d18836c26c1765a54a6a3f094cbd23a7267ffa"
 
 [[package]]
 name = "matrixmultiply"
-version = "0.3.9"
+version = "0.3.10"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "9380b911e3e96d10c1f415da0876389aaf1b56759054eeb0de7df940c456ba1a"
+checksum = "a06de3016e9fae57a36fd14dba131fccf49f74b40b7fbdb472f96e361ec71a08"
 dependencies = [
@@ -146,5 +146,5 @@ "autocfg",
 name = "proc-macro2"
-version = "1.0.94"
+version = "1.0.95"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "a31971752e70b8b2686d7e46ec17fb38dad4051d94024c88df49b667caea9c84"
+checksum = "02b3e5e68a3a1a02aad3ec490a98007cbc13c37cbe84a3cd7b8e406d76e7f778"
 dependencies = [
@@ -156,5 +156,5 @@ "unicode-ident",
 name = "pyo3"
-version = "0.24.1"
+version = "0.24.2"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "17da310086b068fbdcefbba30aeb3721d5bb9af8db4987d6735b2183ca567229"
+checksum = "e5203598f366b11a02b13aa20cab591229ff0a89fd121a308a5df751d5fc9219"
 dependencies = [
@@ -175,5 +175,5 @@ "cfg-if",
 name = "pyo3-build-config"
-version = "0.24.1"
+version = "0.24.2"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "e27165889bd793000a098bb966adc4300c312497ea25cf7a690a9f0ac5aa5fc1"
+checksum = "99636d423fa2ca130fa5acde3059308006d46f98caac629418e53f7ebb1e9999"
 dependencies = [
@@ -186,5 +186,5 @@ "once_cell",
 name = "pyo3-ffi"
-version = "0.24.1"
+version = "0.24.2"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "05280526e1dbf6b420062f3ef228b78c0c54ba94e157f5cb724a609d0f2faabc"
+checksum = "78f9cf92ba9c409279bc3305b5409d90db2d2c22392d443a87df3a1adad59e33"
 dependencies = [
@@ -197,5 +197,5 @@ "libc",
 name = "pyo3-macros"
-version = "0.24.1"
+version = "0.24.2"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "5c3ce5686aa4d3f63359a5100c62a127c9f15e8398e5fdeb5deef1fed5cd5f44"
+checksum = "0b999cb1a6ce21f9a6b147dcf1be9ffedf02e0043aec74dc390f3007047cecd9"
 dependencies = [
@@ -210,5 +210,5 @@ "proc-macro2",
 name = "pyo3-macros-backend"
-version = "0.24.1"
+version = "0.24.2"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "f4cf6faa0cbfb0ed08e89beb8103ae9724eb4750e3a78084ba4017cbe94f3855"
+checksum = "822ece1c7e1012745607d5cf0bcb2874769f0f7cb34c4cde03b9358eb9ef911a"
 dependencies = [
@@ -245,5 +245,5 @@ "heck",
 name = "syn"
-version = "2.0.100"
+version = "2.0.101"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "b09a44accad81e1ba1cd74a32461ba89dee89095ba17b32f5d03683b1b1fc2a0"
+checksum = "8ce2b7fc941b3a24138a0a7cf8e858bfc6a992e7978a068a5c760deb0ed43caf"
 dependencies = [
@@ -250,0 +250,0 @@ "proc-macro2",

Cargo.toml

 [package]
 name = "fastpdb"
-version = "1.3.2"
+version = "1.3.3"
 edition = "2018"
@@ -5,0 +5,0 @@

PKG-INFO

 Metadata-Version: 2.4
 Name: fastpdb
-Version: 1.3.2
+Version: 1.3.3
 Classifier: Development Status :: 5 - Production/Stable
@@ -5,0 +5,0 @@ Classifier: Intended Audience :: Science/Research

pyproject.toml

 [project]
 name = "fastpdb"
-version = "1.3.2"
+version = "1.3.3"
 description = "A high performance drop-in replacement for Biotite's PDBFile."
@@ -5,0 +5,0 @@ readme = "README.rst"

python-src/fastpdb/__init__.py

 __name__ = "fastpdb"
 __author__ = "Patrick Kunzmann"
 __all__ = ["PDBFile"]
-__version__ = "1.3.2"
+__version__ = "1.3.3"
 
@@ -33,3 +33,3 @@ import os
                 raise TypeError("A file opened in 'text' mode is required")
-            pdb_file._pdb_file = RustPDBFile(file.read().splitlines())
+            pdb_file._pdb_file = RustPDBFile([s.ljust(80) for s in file.read().splitlines()])
 
@@ -36,0 +36,0 @@ # Synchronize with PDB file representation in Rust

tests/test_fastpdb.py

@@ -197,2 +197,12 @@ # This source code is part of the Biotite package and is distributed
 
-    assert atoms_guessed_elements.element.tolist() == atoms.element.tolist()
+    assert atoms_guessed_elements.element.tolist() == atoms.element.tolist()
+
+
+def test_non_80_char_columns():
+    with open(DATA_PATH / "1l2y.pdb") as f:
+        lines = list(map(lambda s: s.rstrip(), f.readlines()))
+
+    pdb_file = fastpdb.PDBFile.read(StringIO(str.join("\n", lines)))
+    atoms = pdb_file.get_structure()
+
+    assert atoms is not None

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601

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