From cd20098ab4de4d69fd6a300422125526a2354df6 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Fri, 3 Nov 2023 23:42:21 -0400 Subject: [PATCH] More fixes Signed-off-by: Geoff Hutchison --- avogadro/io/cjsonformat.cpp | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/avogadro/io/cjsonformat.cpp b/avogadro/io/cjsonformat.cpp index 2295082647..bc3b372e2a 100644 --- a/avogadro/io/cjsonformat.cpp +++ b/avogadro/io/cjsonformat.cpp @@ -310,8 +310,8 @@ bool CjsonFormat::read(std::istream& file, Molecule& molecule) if (hallNumber > 0 && hallNumber < 531) molecule.setHallNumber(hallNumber); } else if (unitCell["spaceGroup"].is_string()) { - auto hallNumber = SpaceGroups::hallNumber(unitCell["spaceGroup"]); - if (hallNumber != -1 && hallNumber != 0) + auto hallNumber = Core::SpaceGroups::hallNumber(unitCell["spaceGroup"]); + if (hallNumber != 0) molecule.setHallNumber(hallNumber); } } @@ -713,7 +713,8 @@ bool CjsonFormat::write(std::ostream& file, const Molecule& molecule) // write the Hall number and space group unitCell["hallNumber"] = molecule.hallNumber(); - unitCell["spaceGroup"] = SpaceGroups::international(molecule.hallNumber()); + unitCell["spaceGroup"] = + Core::SpaceGroups::international(molecule.hallNumber()); root["unitCell"] = unitCell; }