[Code scan] Validate cube read success before copying charge data

[njzjz]

This issue is a result of a Codex global repository scan.

read_cube() returns bool, but read_cube.cpp ignores that result and assumes dimensions and data are valid. A malformed or truncated cube file can leave invalid dimensions or an undersized data_read vector, after which the caller copies/interpolates from data_read.data().

Caller ignoring the result:

abacus-develop/source/source_io/module_output/read_cube.cpp

Lines 53 to 64 in 84ca04b

	// we've already checked the file existence, so we don't need the returned value here
	ModuleIO::read_cube(fn, comment, natom, origin, nx_read, ny_read, nz_read,
	dx, dy, dz, atom_type, atom_charge, atom_pos, data_read);
	// if mismatch, trilinear interpolate
	if (nx == nx_read && ny == ny_read && nz == nz_read)
	{
	std::memcpy(data_xyz_full.data(), data_read.data(), nxyz * sizeof(double));
	}
	else
	{
	trilinear_interpolate(data_read.data(), nx_read, ny_read, nz_read, nx, ny, nz, data_xyz_full.data());

Parser reads dimensions/data without checking each extraction:

abacus-develop/source/source_io/module_output/read_cube.cpp

Lines 176 to 203 in 84ca04b

	ifs >> natom;
	origin.resize(3);
	for (auto& cp : origin)
	{
	ifs >> cp;
	}
	dx.resize(3);
	dy.resize(3);
	dz.resize(3);
	ifs >> nx >> dx[0] >> dx[1] >> dx[2];
	ifs >> ny >> dy[0] >> dy[1] >> dy[2];
	ifs >> nz >> dz[0] >> dz[1] >> dz[2];
	atom_type.resize(natom);
	atom_charge.resize(natom);
	atom_pos.resize(natom, std::vector<double>(3));
	for (int i = 0;i < natom;++i)
	{
	ifs >> atom_type[i] >> atom_charge[i] >> atom_pos[i][0] >> atom_pos[i][1] >> atom_pos[i][2];
	}
	const int nxyz = nx * ny * nz;
	data.resize(nxyz);
	for (int i = 0;i < nxyz;++i)
	{
	ifs >> data[i];

Relevant code:

ModuleIO::read_cube(fn, comment, natom, origin, nx_read, ny_read, nz_read, 
    dx, dy, dz, atom_type, atom_charge, atom_pos, data_read);

if (nx == nx_read && ny == ny_read && nz == nz_read)
{
    std::memcpy(data_xyz_full.data(), data_read.data(), nxyz * sizeof(double));
}
else
{
    trilinear_interpolate(data_read.data(), nx_read, ny_read, nz_read, nx, ny, nz, data_xyz_full.data());
}

Suggested fix:

Check the read_cube() return value and validate positive dimensions, nonnegative atom count, nx * ny * nz overflow, and that all expected data values were read before copying or interpolating.