Capture output file content

INCHI-1-TEST/tests/test_executable/conftest.py

@@ -2,6 +2,7 @@
 import subprocess
 from typing import Callable
 from pathlib import Path
+from dataclasses import dataclass
 
 
 def pytest_addoption(parser):
@@ -13,20 +14,30 @@ def pytest_addoption(parser):
     )
 
 
+@dataclass
+class InchiResult:
+    stdout: str
+    output: str  # InChI and AuxInfo
+
+
 @pytest.fixture
-def run_inchi_exe(request) -> Callable:
-    def _run_inchi_exe(
-        molfile_path: str, args: str = ""
-    ) -> subprocess.CompletedProcess:
+def run_inchi_exe(request, tmp_path: Path) -> Callable:
+    def _run_inchi_exe(molfile_path: str, args: str = "") -> InchiResult:
 
         exe_path: str = request.config.getoption("--exe-path")
         if not Path(exe_path).exists():
             raise FileNotFoundError(f"InChI executable not found at {exe_path}.")
 
-        return subprocess.run(
-            [exe_path, molfile_path] + args.split(),
+        result = subprocess.run(
+            [exe_path, molfile_path, str(tmp_path.joinpath("output.txt"))]
+            + args.split(),
             capture_output=True,
             text=True,
         )
 
+        return InchiResult(
+            stdout=result.stderr,
+            output=Path(tmp_path.joinpath("output.txt")).read_text(),
+        )
+
     return _run_inchi_exe

INCHI-1-TEST/tests/test_executable/test_github_40.py

@@ -110,4 +110,4 @@ def molfile():
 def test_spiro_compound_chiral(molfile, run_inchi_exe):
     result = run_inchi_exe(molfile)
 
-    assert "Warning (Not chiral) structure #1." not in result.stderr
+    assert "Warning (Not chiral) structure #1." not in result.stdout

INCHI-1-TEST/tests/test_executable/test_github_52.py

@@ -44,7 +44,7 @@ def test_empty_bondblock(molfile_empty_bondblock, run_inchi_exe):
 
     assert (
         "Error 71 (no InChI; Error: No V3000 CTAB end marker) inp structure #1."
-        not in result.stderr
+        not in result.stdout
     )
 
 
@@ -53,5 +53,5 @@ def test_no_bondblock(molfile_no_bondblock, run_inchi_exe):
 
     assert (
         "Error 71 (no InChI; Error: No V3000 CTAB end marker) inp structure #1."
-        not in result.stderr
+        not in result.stdout
     )