Update info check syntax (#39)

marvinfriede · web-flow · commit 63f3b9f51371 · 2025-01-15T16:38:42.000+01:00
diff --git a/test/test_grad.cpp b/test/test_grad.cpp
@@ -71,7 +71,7 @@ int test_numgrad(TMolecule &mol, const int charge, const dparam &par) {
     d4grad[i] = 0.0;
   }
   info = get_dispersion(mol, realIdx, charge, d4, par, cutoff, energy, d4grad);
-  if (!info == EXIT_SUCCESS) return info;
+  if (info != EXIT_SUCCESS) return info;
 
   // check translational invariance of analytical gradient
   if (is_trans_invar(mol, d4grad) != EXIT_SUCCESS) return EXIT_FAILURE;

Original file line number	Diff line number	Diff line change
`@@ -71,7 +71,7 @@ int test_numgrad(TMolecule &mol, const int charge, const dparam &par) {`
`71`	`71`	`d4grad[i] = 0.0;`
`72`	`72`	`}`
`73`	`73`	`info = get_dispersion(mol, realIdx, charge, d4, par, cutoff, energy, d4grad);`
`74`		`- if (!info == EXIT_SUCCESS) return info;`
	`74`	`+ if (info != EXIT_SUCCESS) return info;`
`75`	`75`
`76`	`76`	`// check translational invariance of analytical gradient`
`77`	`77`	`if (is_trans_invar(mol, d4grad) != EXIT_SUCCESS) return EXIT_FAILURE;`