PoreAna 0.2
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        • Sample._density
          • Sample._density()
    • Sample._density
      • Sample._density()
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    Sample._density¶

    Sample._density(data, region, dist, com, pore_id)¶

    This function samples the density inside and outside of the pore.

    All atoms are sampled each frame if they are inside or outside the bounds of the pore minus an optional entry length on both sides.

    Inside the pore the atom instances will be added to radial cylindric slices \(r_i-r_{i-1}\) and outside to rectangular slices \(z_j-z_{j-1}\) with pore radius \(r_i\) of radial slice \(i\) and length \(z_j\) of slice \(j\).

    Parameters:
    datadictionary

    Data dictionary containing bins for the pore interior and exterior

    regionstring

    Indicator wether molecule is inside or outside pore

    distfloat

    Distance of center of mass to pore surface area

    comlist

    Center of mass of current molecule

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    © Copyright 2021, Hamzeh Kraus.
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