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gemmi-sfcalc --pow: use |F| not F
1 parent d47e3ff commit a8098bd

1 file changed

Lines changed: 2 additions & 2 deletions

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prog/mapcoef.cpp

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -213,10 +213,10 @@ read_sf_and_fft_to_map(const char* input_path,
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// nothing
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} else if (f_pow == 2.) {
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for (size_t i = 0; i != grid.data.size(); ++i)
216-
grid.data[i] *= grid.data[i];
216+
grid.data[i] = gemmi::sq(std::abs(grid.data[i]));
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} else {
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for (size_t i = 0; i != grid.data.size(); ++i)
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grid.data[i] = std::pow(grid.data[i], f_pow);
219+
grid.data[i] = std::pow(std::abs(grid.data[i]), f_pow);
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}
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if (output)
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fprintf(output, "Fourier transform...\n");

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